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The binary manganese aluminium (MnAl) alloy with L$1_0$ crystal structure is a promising rare earth element-free permanent magnetic material because of its exceptional magnetic properties. However, experimentally synthesizing it in a stable bulk form is extremely challenging. Here, an alternative method of stabilizing the material is proposed and theoretically verified by partially substituting Mn and Al sites with Fe and Ni and identifying its enhanced phase stability, magnetic anisotropy, and coercivity from density functional theory (DFT), machine learning (ML) crystal graph convolution neural network (CGCNN), and micro-magnetic modeling. When considering a fixed ($50\%$)-Ni, the magnetic anisotropy increases with the increasing Fe content but decreases the formation energy. The calculated formation energies, elastic constants, and phonon frequencies demonstrate that all the binary and quaternary compositions are stable. Most importantly, the magnetic moment and magnetic anisotropy constants in $50\%$-Fe substituted composition (equiatomic phase) increase significantly compared to the MnAl. The predicted coercivity of the equiatomic phase is larger than the parent compound calculated by combining DFT computed parameters with micromagnetic simulations., Comment: 12 pages, 8 figures

Low-temperature variable-energy electron irradiation was used to induce non-magnetic disorder in a single crystal of hole-doped iron-based superconductor, Ba$_{1-x}$K$_x$Fe$_2$As$_2$, $x=$0.80. To avoid systematic errors, the beam energy was adjusted non-consequently for five values between 1.0 and 2.5 MeV, whence sample resistance was measured in-situ at 22 K. For all energies, the resistivity raises linearly with the irradiation fluence suggesting the creation of uncorrelated dilute point-like disorder (confirmed by simulations). The rate of the resistivity increase peaks at energies below 1.5 MeV. Comparison with calculated partial cross-sections points to the predominant creation of defects in the iron sublattice. Simultaneously, superconducting $T_c$, measured separately between the irradiation runs, is monotonically suppressed as expected since it depends on the total scattering rate, hence total cross-section, which is a monotonically increasing function of energy. Our work confirms experimentally an often-made assumption of the dominant role of the iron sub-lattice in iron-based superconductors.

Decagonal quasiperiodic ordering of Sn thin film on $d$-Al-Ni-Co, is shown based on scanning tunneling microscopy (STM), low-energy electron diffraction and density functional theory (DFT). Interestingly, the decagonal structural correlations are partially retained up to a large film thickness of 10 nm grown at a 165$\pm$10 K. The nucleation centers called 'Sn white flowers' identified by STM at submonolayer thickness are recognized as valid patches of the decagonal clathrate structure with low adsorption energies. Due to the excellent lattice matching (to within 1%) between columns of Sn dodecahedra in the clathrate structure and pentagonal motifs at the $d$-Al-Ni-Co surface, the interfacial energy favors clathrate over the competing Sn crystalline forms. DFT study of the Sn/Al-Ni-Co composite model shows good mechanical stability, as shown by the work of separation of Sn from Al-Ni-Co slab that is comparable to clathrate self-separation energy. The relaxed surface terminations of the R$_2$T$_4$ clathrate approximant are in self-similarity correspondence with the motifs observed in the STM images from monolayer to thickest Sn film., Comment: Phys. Rev. B (in press) with 17 figures and 2 Tables in the main text. The supplementary material contains 9 figures, 3 Tables, one note, VASP CONTCAR files, and LEED video files

Ni2MnGa(100) surface has been investigated in the premartensite and martensite phase by using scanning tunneling microscopy. The presence of twined morphology is observed in the premartensite phase for Mn excess surface which exhibit non-equispaced parallel bands in one side of the twin boundary. Moreover, in the flat region of the surface two domains of non-periodic parallel bands corresponding to the incommensurate CDW is observed. Although, stoichiometric surface also exhibit twining but the parallel bands are equispaced and have equal corrugation. Most interestingly, coexistence of twined morphology and the CDW pattern is observed in the premartensite phase for Ni excess surface which was not reported till date. In the martensite phase for Mn excess surface, incommensurate CDW is transformed to commensurate CDW corresponding to the equispaced parallel bands. In stark contrast, stoichiometric surface exhibit parallel bands that have different periodicity in different regions. Both the voltage dependent STM and STS measurement establishes that this morphology is also related to the CDW.

In-plane anisotropy of electrical resistivity was studied in samples of the hole-doped Ba$_{1-x}$K$_x$Fe$_2$As$_2$ in the composition range $0.21 \leq x \leq 0.26$ where anisotropy changes sign. Low-temperature ($\sim$20~K) irradiation with relativistic 2.5 MeV electrons was used to control the level of disorder and residual resistivity of the samples. Modification of the stress-detwinning technique enabled measurements of the same samples before and after irradiation, leading to conclusion of anisotropic character of predominantly inelastic scattering processes. Our main finding is that the resistivity anisotropy is of the same sign irrespective of residual resistivity, and remains the same in the orthorhombic $C_2$ phase above the re-entrant tetragonal transition. Unusual $T$-linear dependence of the anisotropy $\Delta \rho \equiv \rho_a(T)-\rho_b(T)$ is found in pristine samples with $x=$0.213 and $x=$0.219, without similar signatures in either $\rho_a(T)$ or $\rho_b(T)$. We show that this feature can be reproduced by a phenomenological model of R.~M.~Fernandes {\it et al.} Phys. Rev. Lett. {\bf 107},217002 (2011). We speculate that onset of fluctuations of nematic order on approaching the instability towards the re-entrant tetragonal phase contributes to this unusual dependence.

Low-temperature (22~K) irradiation with 2.5~MeV electrons was used to study the competition between stripe ${\rm C_2}$ and tetragonal ${\rm C_4}$ antiferromagnetic phases which exist in a narrow doping range around $x=$0.25 in hole-doped Ba$_{1-x}$K$_x$Fe$_2$As$_2$. In nearby compositions outside of this range, at $x=$0.22 and $x=$0.19, the temperatures of both the concomitant orthorhombic/stripe antiferromagnetic transition $T_{\rm C2}$ and the superconducting transition $T_{\rm c}$ are monotonically suppressed by added disorder at similar rates of about 0.1~K/$\mu \Omega$cm, as revealed through using resistivity variation as an intrinsic measure of scattering rate. In a stark contrast, a rapid suppression of the ${\rm C_4}$ phase at the rate of 0.24 K/$\mu \Omega \cdot$cm is found at $x=$0.25. Moreover, this suppression of the ${\rm C_4}$ phase is accompanied by unusual disorder-induced stabilization of the ${\rm C_2}$ phase, determined by resistivity and specific heat measurements. The rate of the ${\rm C_4}$ phase suppression is notably higher than the suppression rate of the spin-vortex phase in the Ni-doped CaKFe$_4$As$_4$ (0.16 K/$\mu \Omega$cm).

In-plane resistivity measurements as a function of temperature and magnetic field up to 35~T with precise orientation within the crystallographic $ac-$plane were used to study the upper critical field, $H_{c2}$, of the hole-doped iron-based superconductor Ba$_{1-x}$K$_x$Fe$_2$As$_2$. Compositions of the samples studied were spanning from underdoped $x=$0.17 ($T_c$=12~K) and $x$=0.22 ($T_c$=20~K), both in the coexistence range of stripe magnetism and superconductivity, though optimal doping $x$=0.39 ($T_c$=38.4~K), $x$=0.47 ($T_c$=37.2~K), to overdoped $x$=0.65 ($T_c$=22~K), $x$=0.83 ($T_c$=10~K). We find notable doping asymmetry of the shapes of the anisotropic $H_{c2}(T)$ suggesting important role of paramagnetic limiting effects in $H \parallel a$ configuration in overdoped compositions and multi-band effects in underdoped compositions.

Non-invasive magnetic field sensing using optically - detected magnetic resonance of nitrogen-vacancy (NV) centers in diamond was used to study spatial distribution of the magnetic induction upon penetration and expulsion of weak magnetic fields in several representative superconductors. Vector magnetic fields were measured on the surface of conventional, Pb and Nb, and unconventional, LuNi$_2$B$_2$C, Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$, Ba(Fe$_{0.93}$Co$_{0.07}$)$_2$As$_2$, and CaKFe$_4$As$_4$, superconductors, with diffraction - limited spatial resolution using variable - temperature confocal system. Magnetic induction profiles across the crystal edges were measured in zero-field-cooled (ZFC) and field-cooled (FC) conditions. While all superconductors show nearly perfect screening of magnetic fields applied after cooling to temperatures well below the superconducting transition, $T_c$, a range of very different behaviors was observed for Meissner expulsion upon cooling in static magnetic field from above $T_c$. Substantial conventional Meissner expulsion is found in LuNi$_2$B$_2$C, paramagnetic Meissner effect (PME) is found in Nb, and virtually no expulsion is observed in iron-based superconductors. In all cases, good correlation with macroscopic measurements of total magnetic moment is found. Our measurements of the spatial distribution of magnetic induction provide insight into microscopic physics of the Meissner effect.

SmCo5 permanent magnets exhibit enormous uniaxial magnetocrystalline anisotropy energy and have a high Curie temperature. However, a low energy product presents a significant drawback in the performance of SmCo5 permanent magnets. In order to increase the energy product in SmCo5, we propose substituting fixed amount of cobalt with iron in a new magnet, SmFe3CoNi, where inclusion of nickel metal makes this magnet thermodynamically stable. We further discuss some basic theoretical magnetic properties of the SmCo5 compound., Comment: 12 pages, 8 figures, 12 tables

Magnetic skyrmions are nano-sized topologically protected spin textures with particle-like properties. They can form lattices perpendicular to the magnetic field and the orientation of these skyrmion lattices with respect to the crystallographic lattice is governed by spin-orbit coupling. By performing small angle neutron scattering measurements, we investigate the coupling between the crystallographic and skyrmion lattices in both Cu$_2$OSeO$_3$ and the archetype chiral magnet MnSi. The results reveal that the orientation of the skyrmion lattice is primarily determined by the magnetic field direction with respect to the crystallographic lattice. In addition, it is also influenced by the magnetic history of the sample which can induce metastable lattices. Kinetic measurements show that these metastable skyrmion lattices may or may not relax to their equilibrium positions under macroscopic relaxation times. Furthermore, multidomain lattices may form when two or more equivalent crystallographic directions are favored by spin-orbit coupling and oriented perpendicular to the magnetic field., Comment: Supplementory movie 4 is not uploaded due to size restrictions but is available upon request

Raman scattering experiments on LaFeAsO with splitted antiferromagnetic (T_AFM = 140 K) and tetragonal-orthorhombic (T_S = 155 K) transitions show a quasi-elastic peak (QEP) in B2g symmetry (2 Fe tetragonal cell) that fades away below ~T_AFM and is ascribed to electronic nematic fluctuations. A scaling of the reported shear modulus with the T-dependence of the QEP height rather than the QEP area indicates that magnetic degrees of freedom drive the structural transition. The large separation between T_S and T_AFM in LaFeAsO compared with their coincidence in BaFe2As2 manifests itself in slower dynamics of nematic fluctuations in the former., Comment: 8 pages, 9 figures

The mechanism of unconventional superconductivity in iron-based superconductors (IBSs) is one of the most intriguing questions in current materials research. Among non-oxide IBSs, (Ba$_{1-x}$K$_x$)Fe$_2$As$_2$ has been intensively studied because of its high superconducting transition temperature and fascinating evolution of the superconducting gap structure from being fully isotropic at optimal doping (\(x\approx\)0.4) to becoming nodal at $x > $0.8. Although this marked evolution was identified in several independent experiments, there are no details of the gap evolution to date because of the lack of high-quality single crystals covering the entire K-doping range of the superconducting dome. We conducted a systematic study of the London penetration depth, $\lambda (T)$, across the full phase diagram for different concentrations of point-like defects introduced by 2.5 MeV electron irradiation. Fitting the low-temperature variation with the power law, $\Delta \lambda \sim T^{n}$, we find that the exponent $n$ is the highest and $T_c$ suppression rate with disorder is the smallest at optimal doping, and they evolve with doping being away from optimal, which is consistent with increasing gap anisotropy, including an abrupt change around $x\simeq 0.8$, indicating the onset of nodal behavior. Our analysis using a self-consistent $t$-matrix approach suggests the ubiquitous and robust nature of s$_{\pm}$ pairing in IBSs and argues against a previously suggested transition to a $d-$wave state near $x=1$ in this system.

Using femtosecond time-resolved resonant magnetic x-ray diffraction at the Ho L3 absorption edge, we investigate the demagnetization dynamics in antiferromagnetically ordered metallic Ho after femtosecond optical excitation. Tuning the x-ray energy to the electric dipole (E1, 2p -> 5d) or quadrupole (E2, 2p -> 4f) transition allows us to selectively and independently study the spin dynamics of the itinerant 5d and localized 4f electronic subsystems via the suppression of the magnetic (2 1 3-tau ) satellite peak. We find demagnetization timescales very similar to ferromagnetic 4f systems, suggesting that the loss of magnetic order occurs via a similar spin-flip process in both cases. The simultaneous demagnetization of both subsystems demonstrates strong intra-atomic 4f-5d exchange coupling. In addition, an ultrafast lattice contraction due to the release of magnetostriction leads to a transient shift of the magnetic satellite peak.

In the lifetime of a magnetic refrigerator the materials are subjected to millions of thermal magnetic cycles, so it is of the utmost importance to predict the behavior of such materials when subjected to related work conditions. Thus, in this work we investigated the influence of thermal cycling in the microstructure, magnetic phase transition and magnetic entropy change of a Gd5Si1.3Ge2.7 thin film up to 1000 cycles. In a first stage, till 450 cycles, the hysteresis area of the magnetization curves as a function of temperature was found to decrease 16% with thermal cycling, due to an arresting of the O(II) phase caused by internal strain. Nonetheless, after 1000 cycles there is a clear loss of the magneto-structural transition. For all thermal cycles the O(I) phase remains unchanged. Therefore, prolonged thermal cycling leads to a strong reduction of the O(II) phase, attributed to an internal pressure build-up, caused by the large number of expansion/compression cycles that the O(II) phase undergoes across the magnetostructural transition., Comment: 12 pages, 3 figures, Submitted to Journal of Physics D: Applied Physics

La$_{0.4}$Na$_{0.6}$Fe$_2$As$_2$ single crystals have been grown out of an NaAs flux in an alumina crucible and characterized by measuring magnetic susceptibility, electrical resistivity, specific heat, as well as single crystal x-ray and neutron diffraction. La$_{0.4}$Na$_{0.6}$Fe$_2$As$_2$ single crystals show a structural phase transition from a high temperature tetragonal phase to a low-temperature orthorhombic phase at T$_s$\,=\,125\,K. This structural transition is accompanied by an anomaly in the temperature dependence of electrical resistivity, anisotropic magnetic susceptibility, and specific heat. Concomitant with the structural phase transition, the Fe moments order along the \emph{a} direction with an ordered moment of 0.7(1)\,$\mu_{\textup{B}}$ at \emph{T}\,=\,5 K. The low temperature stripe antiferromagnetic structure is the same as that in other \emph{A}Fe$_{2}$As$_{2}$ (\emph{A}\,=\,Ca, Sr, Ba) compounds. La$_{0.5-x}$Na$_{0.5+x}$Fe$_2$As$_2$ provides a new material platform for the study of iron-based superconductors where the electron-hole asymmetry could be studied by simply varying La/Na ratio., Comment: 9 pages, 7 figures, to appear in Physical Review B

Single-crystal synchrotron x-ray diffraction studies of CeFeAsO reveal strong anisotropy in the charge correlation lengths along or perpendicular to the in-plane antiferromagnetic (AFM) wave-vector at low temperatures, indicating an anisotropic two-dimensional magnetoelastic coupling. The high-resolution setup allows to distinctly monitor each of the twin domains by virtue of a finite misfit angle between them that follows the order parameter. In addition, we find that the in-plane correlations, above the orthorhombic (O)-to-tetragonal (T) transition, are shorter than those in each of the domains in the AFM phase, indicating a distribution of the in-plane lattice constants. This strongly suggests that the phase above the structural O-to-T transition is virtually T with strong O-T fluctuations that are probably induced by spin fluctuations., Comment: 5 pages, 4 Figures, Rapid Communications

London penetration depth, $\lambda (T)$, was measured in single crystals of K$_{1-x}$Na$_x$Fe$_2$As$_2$, $x$=0 and 0.07, down to temperatures of 50~mK, $\sim T_c/50$. Isovalent substitution of Na for K significantly increases impurity scattering, with $\rho(T_c)$ rising from 0.2 to 2.2 $\mu \Omega$cm, and leads to a suppression of $T_c$ from 3.5~K to 2.8~K. At the same time, a close to $T$-linear $\Delta \lambda (T)$ in pure samples changes to almost $T^2$ in the substituted samples. The behavior never becomes exponential as expected for the accidental nodes, as opposed to $T^2$ dependence in superconductors with symmetry imposed line nodes. The superfluid density in the full temperature range follows a simple clean and dirty $d$-wave dependence, for pure and substituted samples, respectively. This result contradicts suggestions of multi-band scenarios with strongly different gap structure on four sheets of the Fermi surface.

Large high-quality single crystals of hole-doped iron-based superconductor (Ba$_{1-x}$K$_x$)Fe$_2$As$_2$ were grown over a broad composition range $0.22 \leq x \leq 1$ by inverted temperature gradient method. We found that high soaking temperature, fast cooling rate, and adjusted temperature window of the growth are necessary to obtain single crystals of heavily K doped crystals (0.65$\leq x \leq$ 0.92) with narrow compositional distributions as revealed by sharp superconducting transitions in magnetization measurements and close to 100% superconducting volume fraction. The crystals were extensively characterized by x-ray and compositional analysis, revealing monotonic evolution of the $c$-axis crystal lattice parameter with K substitution. Quantitative measurements of the temperature-dependent in-plane resistivity, $\rho(T)$ found doping-independent, constant within error bars, resistivity at room temperature, $\rho(300K)$, in sharp contrast with significant doping dependence in electron and isovalent substituted BaFe$_2$As$_2$ based compositions. The shape of the temperature dependent resistivity, $\rho(T)$, shows systematic doping-evolution, being close to $T^2$ in overdoped and revealing significant contribution of the $T$-linear component at optimum doping. The slope of the upper critical field, $d H_{c2}/dT$, scales linearly with $T_c$ for both $H\parallel c$, $ H_{c2,c}$, and $H \parallel ab$, $H_{c2,ab}$. The anisotropy of the upper critical field, $\gamma \equiv H_{c2,ab} / H_{c2,c}$ determined near zero-field $T_c$ increases from $\sim$2 to 4-5 with increasing K doping level from optimal $x \sim$0.4 to strongly overdoped $x$=1., Comment: 16 figures and 1 table

We measured the Raman spectra of ferromagnetic nearly half metal CoS2 in a broad temperature range. All five Raman active modes Ag, Eg, Tg(1), Tg(2) and Tg(3) were observed. The magnetic ordering is indicated by a change of the temperature dependences of the frequency and the line width of Ag and T g(2) modes at the Curie point. The temperature dependence of the frequencies and linewidths of the Ag, Eg, Tg(1), T g(2) modes in the paramagnetic phase can be described in the framework of the Klemens approach. Hardening of the Tg(2), Tg(1) and A g modes on cooling can be unambiguously seen in the ferromagnetic phase. The linewidths of Tg(2) and Ag modes behave a natural way at low exciting laser power (decrease with decreasing temperature) in the ferromagnetic phase. At high exciting laser power the corresponding linewidths increase at temperature decreasing below the Curie temperature. Then as can be seen the line width of Ag mode reaches a maxima at about 80K. This intriging feature probably signifies a specific channel of the optical phonon decay in the ferromagnetic phase of CoS2. Tentative explanations of some of the observed effects are given, taking into account the nearly half metallic nature of CoS2., Comment: 6 pages, 8 figures

The volume change and heat capacity at the ferromagnetic phase transition in CoS2 were measured at high pressures using X-rays generated by the Argonne synchrotron light source and by ac-calorimetry, respectively. The transition entropy, calculated on the basis of these experimental data, drops along the transition line due to quantum degradation, as required by Nernst law. The volume change increases strongly along the transition line, which is explained by specifics of the compressibility difference of coexisting phases that results from nearly half metallic nature of the ferromagnetic phase of CoS2.

Measurements of temperature-dependent in-plane resistivity, $\rho(T)$, were used to determine the upper critical field and its anisotropy in high quality single crystals of stoichiometric iron arsenide superconductor KFe$_2$As$_2$. The crystals were characterized by residual resistivity ratio, $\rho(300K)/\rho(0)$ up to 3000 and resistive transition midpoint temperature, $T_c$=3.8 K, significantly higher than in previous studies on the same material. We find increased $H_{c2}(T)$ for both directions of the magnetic field, which scale with the increased $T_c$. This unusual linear $H_{c2}(T_c)$ scaling is not expected for orbital limiting mechanism of the upper critical field in clean materials.

We study the relationship between precipitate morphology and superconductivity in KxFe1.6+ySe2 single crystals grown by self-flux method. Scanning electron microscopy (SEM) measurements revealed that superconducting phase forms a network in the samples quenched above iron vacancy order-disorder transition temperature Ts. For the samples obtained by natural cooling down to room temperature in the furnace, referred to as furnace cooling, superconducting phase aggregates into micrometer-sized rectangular bars and aligns as disconnected chains. Accompanying this change in morphology the superconducting shielding fraction is strongly reduced in the furnace-cooling samples. By post-annealing above Ts followed by quenching in room temperature water, the network recovers with superconducting shielding fraction approaching 80%. A reversible change from network to bar chains was realized by a secondary heat treatment in annealed samples showing large shielding fraction, i.e., heating above Ts followed by slow cooling across Ts. The large shielding fraction observed in KxFe1.6+ySe2 single crystals actually results from a uniform and contiguous distribution of superconducting phase. Through the measurements of temperature dependent x-ray diffraction, it is found that the reflection corresponding to superconducting phase merges into that from iron vacancy ordered phase upon warming. It is a solid solution above Ts, where iron atoms randomly occupy the both Fe1 and Fe2 sites in iron vacancy disordering status. By cooling across Ts, superconducting phase precipitates while iron vacancy ordered phase forms together, suggesting that phase separation in KxFe1.6+ySe2 single crystals is driven by the iron vacancy order-disorder transition., Comment: to be published in PRB

Here, we present an electrical transport study in single crystals of LaFe$_{0.92}$Co$_{0.08}$AsO ($T_c \simeq 9.1$ K) under high magnetic fields. In contrast to most of the previously reported Fe based superconductors, and despite its relatively low $T_c$, LaFe$_{1-x}$Co$_x$AsO shows a superconducting anisotropy which is comparable to those seen for instance in the cuprates or $\gamma_H = H_{c2}^{ab}/H_{c2}^{c} = m_c/m_{ab} \simeq 9$, where $m_c/m_{ab}$ is the effective mass anisotropy. Although, in the present case and as in all Fe based superconductors, $\gamma \rightarrow 1$ as $T \rightarrow 0$. Under the application of an external field, we also observe a remarkable broadening of the superconducting transition particularly for fields applied along the inter-planar direction. Both observations indicate that the low dimensionality of LaFe$_{1-x}$Co$_x$AsO is likely to lead to a more complex vortex phase-diagram when compared to the other Fe arsenides and consequently, to a pronounced dissipation associated with the movement of vortices in a possible vortex liquid phase. When compared to, for instance, F-doped compounds pertaining to same family, we obtain rather small activation energies for the motion of vortices. This suggests that the disorder introduced by doping LaFeAsO with F is more effective in pinning the vortices than alloying it with Co., Comment: 7 figures, 7 pages, Phys. Rev. B (in press)

The phonon dispersion was measured at room temperature along (0,0,L) in the tetragonal phase of LaFeAsO using inelastic x-ray scattering. Spin-polarized first-principles calculations imposing various types of antiferromagnetic order are in better agreement with the experimental results than nonmagnetic calculations, although the measurements were made well above the magnetic ordering temperature, T_N. Splitting observed between two A_{1g} phonon modes at 22 and 26 meV is only observed in spin-polarized calculations. Magneto-structural effects similar to those observed in the AFe_2As_2 materials are confirmed present in LaFeAsO. The presence of Fe-spin is necessary to find reasonable agreement of the calculations with the measured spectrum well above T_N. On-site Fe and As force constants show significant softening compared to nonmagnetic calculations, however an investigation of the real-space force constants associates the magnetoelastic coupling with a complex renormalization instead of softening of a specific pairwise force., Comment: 7 pages, 4 figures

Experimental evidence of the anisotropy of the magnetic deflagration associated with the low-temperature first order antiferromagnetic (AFM) --> ferromagnetic (FM) phase-transition in single crystals of Gd5Ge4 is reported. The deflagrations have been induced by controlled pulses of surface acoustic waves (SAW) allowing us to explore both the magnetic field and temperature dependencies on the characteristic times of the phenomenon. The study was done using samples with different geometries and configurations between the SAW pulses and the direction of the applied magnetic field with respect to the three main crystallographic directions of the samples. The effect of temperature is nearly negligible, whereas observed strong magnetic field dependence correlates with the magnetic anisotropy of the sample. Finally, the role of the SAW pulses in both the ignition and formation of the deflagration front was also studied, and we show that the thermal diffusivity of Gd5Ge4 must be anisotropic, following \kappaa>\kappab>\kappac., Comment: 10 pages, 4 figures

The tetragonal-to-orthorhombic structural phase transition (SPT) in LaFeAsO (La-1111) and SmFeAsO (Sm-1111) single crystals measured by high resolution x-ray diffraction is found to be sharp while the RFeAsO (R=La, Nd, Pr, Sm) polycrystalline samples show a broad continuous SPT. Comparing the polycrystalline and the single crystal 1111 samples, the critical exponents of the SPT are found to be the same while the correlation length critical exponents are found to be very different. These results imply that the lattice fluctuations in 1111 systems change in samples with different surface to volume ratio that is assigned to the relieve of the temperature dependent superlattice misfit strain between active iron layers and the spacer layers in 1111 systems. This phenomenon that is missing in the AFe2As2 (A=Ca, Sr, Ba) "122" systems, with the same electronic structure but different for the thickness and the elastic constant of the spacer layers, is related with the different maximum superconducting transition temperature in the 1111 (55 K) versus 122 (35 K) systems and implies the surface reconstruction in 1111 single crystals., Comment: Accepted for publication in Phys Rev B

Elastic neutron scattering studies of an optimized LaFeAsO single crystal reveal that upon cooling, an onset of the tetragonal (T)-to-orthorhombic (O) structural transition occurs at $T_\texttt{S} \approx 156$ K, and it exhibits a sharp transition at $T_\texttt{P} \approx 148$ K. We argue that in the temperature range $T_\texttt{S}$ to $T_\texttt{P}$, T and O structures may dynamically coexist possibly due to nematic spin correlations recently proposed for the iron pnictides, and we attribute $T_\texttt{P}$ to the formation of long-range O domains from the finite local precursors. The antiferromagnetic structure emerges at $T_\texttt{N} \approx 140$ K, with the iron moment direction along the O \emph{a} axis. We extract the iron magnetic form factor and use the tabulated $\langle j_0\rangle$ of Fe, Fe$^{2+}$ and Fe$^{3+}$ to obtain a magnetic moment size of $\sim$0.8 $\mu_\texttt{B}$ at 9.5 K., Comment: 7 pages, 6 figures, 3 tables

The structural and magnetic phase transitions have been studied on NdFeAsO single crystals by neutron and x-ray diffraction complemented by resistivity and specific heat measurements. Two low-temperature phase transitions have been observed in addition to the tetragonal-to-orthorhombic transition at T_S = 142 K and the onset of antiferromagnetic (AFM) Fe order below T_N = 137 K. The Fe moments order AFM in the well-known stripe-like structure in the (ab) plane, but change from AFM to ferromagnetic (FM) arrangement along the c direction below T* = 15 K accompanied by the onset of Nd AFM order below T_Nd = 6 K with this same AFM configuration. The iron magnetic order-order transition in NdFeAsO accentuates the Nd-Fe interaction and the delicate balance of c-axis exchange couplings that results in AFM in LaFeAsO and FM in CeFeAsO and PrFeAsO., Comment: revised; 4 pages, 3 figures; accepted for publication in Phys. Rev. B

We measured the electronic structure of an iron arsenic parent compound LaFeAsO using angle resolved photoemission spectroscopy (ARPES). By comparing with a full-potential Linear Augmented PlaneWave calculation we show that the extra large Gamma hole pocket measured via ARPES comes from electronic structure at the sample surface. Based on this we discuss the strong polarization dependence of the band structure and a temperature-dependent hole-like band around the M point. The two phenomena give additional evidences for the existence of the surface-driven electronic structure., Comment: 6 pages, 6 figures

Millimeter-sized single crystals of LaFeAsO, LaFeAsO1-xFx, and LaFe1-xCoxAsO were grown in NaAs flux at ambient pressure. The detailed growth procedure and crystal characterizations are reported. The as-grown crystals have typical dimensions of 3 * 4 * 0.05-0.3 mm3 with the crystallographic c-axis perpendicular to the plane of the plate-like single crystals. Some crystals manifest linear dimensions as large as 4-5 mm. X-ray and neutron single crystal scattering confirmed that LaFeAsO crystals exhibit a structural phase transition at Ts ~ 154 K and a magnetic phase transition at TSDW ~ 140 K. The transition temperatures agree with those determined by anisotropic magnetization, in-plane electrical resistivity and specific heat measurements and are consistent with previous reports on polycrystalline samples. Co and F were successfully introduced into the lattice leading to superconducting LaFe1-xCoxAsO and LaFeAsO1-xFx single crystals, respectively. This growth protocol has been successfully employed to grow single crystals of NdFeAsO. Thus it is expected to be broadly applicable to grow other RMAsO (R = rare earth, M = transition metal) compounds. These large crystals will facilitate the efforts of unraveling the underlying physics of iron pniticide superconductors.

We present a single crystal neutron diffraction study of the magnetic short-range correlations in Tb$_5$Ge$_4$ which orders antiferromagnetically below the Neel temperature $T_N$ $\approx$ 92 K. Strong diffuse scattering arising from magnetic short-range correlations was observed in wide temperature ranges both below and above $T_N$. The antiferromagnetic ordering in Tb$_5$Ge$_4$ can be described as strongly coupled ferromagnetic block layers in the $ac$-plane that stack along the b-axis with weak antiferromagnetic inter-layer coupling. Diffuse scattering was observed along both $a^*$ and $b^*$ directions indicating three-dimensional short-range correlations. Moreover, the $q$-dependence of the diffuse scattering is Squared-Lorentzian in form suggesting a strongly clustered magnetic state that may be related to the proposed Griffiths-like phase in Gd$_5$Ge$_4$., Comment: 6 pages, 5 figures

Neutron scattering and ultrasonic methods have been used to study the lattice dynamics of two single crystals of Ni-Mn-In Heusler alloys close to Ni$_{50}$Mn$_{34}$In$_{16}$ magnetic superelastic composition. The paper reports the experimental determination of the low-lying phonon dispersion curves and the elastic constants for this alloy system. We found that the frequencies of the TA$_{2}$ branch are relatively low and it exhibits a small dip anomaly at a wave number $\xi_{0} \approx 1/3$, which softens with decreasing temperature. Associated with the softening of this phonon, we also observed the softening of the shear elastic constant $C'=(C_{11}-C_{12})/2$. Both temperature softenings are typical for bcc based solids which undergo martensitic transformations and reflect the dynamical instability of the cubic lattice against shearing of $\{110\}$ planes along $<1\bar{1}0>$ directions. Additionally, we measured low-lying phonon dispersion branches and elastic constants in applied magnetic fields aimed to characterize the magnetoelastic coupling., Comment: 8 pages, 7 figures. Accepted for publication in the Physical Review B

Using electron diffraction, we show that free electron metals such as sodium and potassium form a highly regular quasiperiodic monolayer on the fivefold surface of icosahedral Al-Pd-Mn and that the quasiperiodicity propagates up to the second layer in sodium. Our photoelectron spectroscopy results show that the quasicrystalline alkali metal adlayer does not exhibit a pseudogap near the Fermi level, thought to be charactersitic for the electronic structure of quasicrystalline materials. Calculations based on density functional theory provide a model structure for the quasicrystalline alkali metal monolayer and confirm the absence of a pseudogap., Comment: 13 pages, 3 figures

The compound CaV2O4 contains V^{+3} cations with spin S = 1 and has an orthorhombic structure at room temperature containing zigzag chains of V atoms running along the c-axis. We have grown single crystals of CaV2O4 and report crystallography, static magnetization, magnetic susceptibility \chi, ac magnetic susceptibility, heat capacity Cp, and thermal expansion measurements in the temperature T range of 1.8-350 K on the single crystals and on polycrystalline samples. An orthorhombic to monoclinic structural distortion and a long-range antiferromagnetic (AF) transition were found at sample-dependent temperatures T_S \approx 108-145 K and T_N \approx 51-76 K, respectively. In two annealed single crystals, another transition was found at \approx 200 K. In one of the crystals, this transition is mostly due to V2O3 impurity phase that grows coherently in the crystals during annealing. However, in the other crystal the origin of this transition at 200 K is unknown. The \chi(T) shows a broad maximum at \approx 300 K associated with short-range AF ordering and the anisotropy of \chi above T_N is small. The anisotropic \chi(T \to 0) data below T_N show that the (average) easy axis of the AF magnetic structure is the b-axis. The Cp(T) data indicate strong short-range AF ordering above T_N, consistent with the \chi(T) data. We fitted our \chi(T) data near room temperature by a J1-J2 S = 1 Heisenberg chain model, where J1(J2) is the (next)-nearest-neighbor exchange interaction. We find J1 \approx 230 K, and surprisingly, J2/J1 \approx 0 (or J1/J2 \approx 0). The interaction J_\perp between these S = 1 chains leading to long-range AF ordering at T_N is estimated to be J_\perp/J_1 \gtrsim 0.04., Comment: 22 pages, 24 figures, 6 tables

New measurements of AC magnetic susceptibility and DC resistivity of a high quality single crystal MnSi were carried out at high pressure making use of helium as a pressure medium. The form of the AC magnetic susceptibility curves at the magnetic phase transition suddenly changes upon helium solidification. This implies strong sensitivity of magnetic properties of MnSi to non hydrostatic stresses and suggests that the early claims on the existence of a tricritical point at the phase transition line are probably a result of misinterpretation of the experimental data. At the same time resistivity behavior at the phase transition does not show such a significant influence of helium solidification. The sharp peak at the temperature derivative of resistivity, signifying the first order nature of the phase transition in MnSi successfully survived helium crystallization and continued the same way to the highest pressure., Comment: 4 pages, 6 figures

Plate-like single crystals of SrFe2As2 as large as 3x3x0.5 mm3 have been grown out of Sn flux. The SrFe2As2 single crystals show a structural phase transition from a high temperature tetragonal phase to a low temperature orthorhombic phase at To = 198 K, and do not show any sign of superconductivity down to 1.8 K. The structural transition is accompanied by an anomaly in the electrical resistivity, Hall resistivity, specific heat, and the anisotropic magnetic susceptibility. In an intermediate temperature range from 198 K to 160 K, single crystal X-ray diffraction suggests a coexistence of the high-temperature tetragonal and the low-temperature orthorhombic phases.

Scanning tunnelling microscopy has been used to study the formation of a Bi monolayer deposited on the five-fold surface of i-Al70Pd21Mn9. Upon deposition of low sub-monolayer coverages, the nucleation of pentagonal clusters of Bi adatoms of edge length 4.9 A is observed. The clusters have a common orientation leading to a film with five-fold symmetry. By inspection of images where both the underlying surface and the Bi atoms are resolved, the pentagonal clusters are found to nucleate on pseudo-Mackay clusters truncated such that a Mn atom lies centrally in the surface plane. The density of these sites is sufficient to form a quasiperiodic framework, and subsequent adsorption of Bi atoms ultimately leads to the formation of a quasicrystalline monolayer. The initial nucleation site is different to that proposed on the basis of recent density functional theory calculations., Comment: 6 pages, 5 figures

A quasiperiodic Pb monolayer has been formed on the five-fold surface of the Al-Pd-Mn quasicrystal. Growth of the monolayer proceeds via self-assembly of an interconnected network of pentagonal Pb stars, which are shown to be tau-inflated compared to similar structural elements of the quasiperiodic substrate. Measurements of the electronic structure of the system using scanning tunnelling spectroscopy and ultra-violet photoemission spectroscopy reveal that the Pb monolayer displays a pseudo-gap at the Fermi level which is directly related to its quasiperiodic structure., Comment: 4 pages, 4 figures

$^{51}$V NMR studies on CaV2O4 single crystals and $^{17}$O NMR studies on $^{17}$O-enriched powder samples are reported. The temperature dependences of the $^{17}$O NMR line width and nuclear spin-lattice relaxation rate give strong evidence for a long-range antiferromagnetic transition at Tn = 78 K in the powder. Magnetic susceptibility measurements show that Tn = 69 K in the crystals. A zero-field $^{51}$V NMR signal was observed at low temperatures (f $\approx$ 237 MHz at 4.2 K) in the crystals. The field swept spectra with the field in different directions suggest the presence of two antiferromagnetic substructures. Each substructure is collinear, with the easy axes of the two substructures separated by an angle of 19(1) degree, and with their average direction pointing approximately along the b-axis of the crystal structure. The two spin substructures contain equal number of spins. The temperature dependence of the ordered moment, measured up to 45 K, shows the presence of an energy gap Eg in the antiferromagnetic spin wave excitation spectrum. Antiferromagnetic spin wave theory suggests that Eg lies between 64 and 98 K., Comment: 11 pages, 14 figures. v2: 2 new figures; version published in Phys. Rev. B

The low temperature heat capacity C_{p} of Fe_{1-x}Ga_{x} alloys with large magnetostriction has been investigated. The data were analyzed in the standard way using electron ($\gamma T$) and phonon ($\beta T^{3}$) contributions. The Debye temperature $\Theta_{D}$ decreases approximately linearly with increasing Ga concentration, consistent with previous resonant ultrasound measurements and measured phonon dispersion curves. Calculations of $\Theta_{D}$ from lattice dynamical models and from measured elastic constants C_{11}, C_{12} and C_{44} are in agreement with the measured data. The linear coefficient of electronic specific heat $\gamma$ remains relatively constant as the Ga concentration increases, despite the fact that the magnetoelastic coupling increases. Band structure calculations show that this is due to the compensation of majority and minority spin states at the Fermi level., Comment: 14 pages, 6 figures

New high resolution data for heat capacity, heat capacity under applied magnetic fields and resistivity of high quality single crystal of MnSi are reported. Striking mirror symmetry between temperature derivative of resistivity and thermal expansion coefficient of MnSi is displayed. Close similarity between variation of the heat capacity and the temperature derivative of resistivity through the phase transition is observed. It is shown that the heat capacity and thermal expansion coefficient of the helical phase are not influenced by moderate magnetic field.

Ti50 Pd50-xCrx is a high temperature shape memory alloy with a martensitic transformation temperature strongly dependent on the Cr composition. Prior to the transformation a premartensitic phase is present with an incommensurate modulated cubic lattice with wave vector of q0=(0.22, 0.22, 0). The temperature dependence of the diffuse scattering in the cubic phase is measured as a function temperature for x=6.5, 8.5, and 10 at. %. The lattice dynamics has been studied and reveals anomalous temperature and q-dependence of the [110]-TA2 transverse phonon branch. The phonon linewidth is broad over the entire Brillouin zone and increases with decreasing temperature, contrary to the behavior expected for anharmonicity. No anomaly is observed at q0. The results are compared with first principles calculation of the phonon structure., Comment: 26 pages, 11 figures

A careful study of thermodynamic and transport properties of a high quality single crystal of MnSi at ambient pressure suggests that its transition to a helical magnetic state near 29 K is weakly first order. The heat capacity, temperature derivatives of resistivity, thermal expansion and magnetic susceptibility exhibit a specific structure around the phase transition point, interpreted as a combination of first and second order features. Conclusions drawn from these experiments question prevailing views on the phase diagram of MnSi and propose that the phase transition under study becomes second order at high pressure and low temperature.

We report on measurements of the adiabatic second order elastic constants of the off-stoichiometric Ni$_{54}$Mn$_{23}$Al$_{23}$ single crystalline Heusler alloy. The variation in the temperature dependence of the elastic constants has been investigated across the magnetic transition and over a broad temperature range. Anomalies in the temperature behaviour of the elastic constants have been found in the vicinity of the magnetic phase transition. Measurements under applied magnetic field, both isothermal and variable temperature, show that the value of the elastic constants depends on magnetic order, thus giving evidence for magnetoelastic coupling in this alloy system., Comment: 7 pages, 5 figures. Accepted for publication in Physical the Review B

Inelastic and elastic neutron scattering have been used to study a single crystal of the Ni$_{54}$Mn$_{23}$Al$_{23}$ Heusler alloy over a broad temperature range. The paper reports the first experimental determination of the low-lying phonon dispersion curves for this alloy system. We find that the frequencies of the TA$_2$ modes are relatively low. This branch exhibits an anomaly (dip) at a wave number $\xi_{0} ={1/3}\approx 0.33$, which softens with decreasing temperature. Associated with this anomalous dip at $\xi_{0}$, an elastic central peak scattering is also present. We have also observed satellites due to the magnetic ordering., Comment: 6 pages, 6 figures. Accepted for publication in the Physical Review B

We have synthesised a thin film of copper with a quasi-periodic structure by the adsorption of copper atoms on the five-fold surface of the icosahedral quasicrystal Al-Pd-Mn at room temperature. The quasi-periodicity of the thin film is manifested in low energy electronic diffraction (LEED) measurements and in the existence of Fibonacci relationships between rows of copper atoms imaged using scanning tunneling microscopy (STM). These findings demonstrate the feasibility of single-element quasi-periodic thin film formation using quasicrystals as templates., Comment: 4 pages, 4 figs

The structure of the Al_{70}Pd_{21}Mn_{9} surface has been investigated using high resolution scanning tunnelling microscopy (STM). From two large five-fold terraces on the surface in a short decorated Fibonacci sequence, atomically resolved surface images have been obtained. One of these terraces carries a rare local configuration in a form of a ring. The location of the corresponding sequence of terminations in the bulk model M of icosahedral i-AlPdMn based on the three-dimensional tiling T*(2F) of an F-phase has been estimated using this ring configuration and the requirement from the LEED work of Gierer et al. that the average atomic density of the terminations is 0.136 atoms per A^2. A termination contains two atomic plane layers separated by a vertical distance of 0.48 A. The position of the bulk terminations is fixed within the layers of Bergman polytopes in the model M: they are 4.08 A in the direction of the bulk from a surface of the most dense Bergman layers. From the coding windows of the top planes in terminations in M we conclude that a Penrose (P1) tiling is possible on almost all five-fold terraces. The shortest edge of the tiling P1, is either 4.8 A or 7.8 A. The experimentally derived tiling of the surface with the ring configuration has an edge-length of 8.0 +- 0.3 A and hence matches the minimal edge-length expected from the model., Comment: 11 pages LaTeX file (withowt figures), 16 figures; changed content: new results on new STM data, old results valid and included

We report the in situ formation of an ordered equilibrium decagonal Al-Pd-Mn quasicrystal overlayer on the 5-fold symmetric surface of an icosahedral Al-Pd-Mn monograin. The decagonal structure of the epilayer is evidenced by x-ray photoelectron diffraction, low-energy electron diffraction and electron backscatter diffraction. This overlayer is also characterized by a reduced density of states near the Fermi edge as expected for quasicrystals. This is the first time that a millimeter-size surface of the stable decagonal Al-Pd-Mn is obtained, studied and compared to its icosahedral counterpart., Comment: Submitted to Phys. Ref. Lett. (18 July 2001)

The nature of the five-fold surface of Al(70)Pd(21)Mn(9) has been investigated using scanning tunneling microscopy. From high resolution images of the terraces, a tiling of the surface has been constructed using pentagonal prototiles. This tiling matches the bulk model of Boudard et. al. (J. Phys.: Cond. Matter 4, 10149, (1992)), which allows us to elucidate the atomic nature of the surface. Furthermore, it is consistent with a Penrose tiling T^*((P1)r) obtained from the geometric model based on the three-dimensional tiling T^*(2F). The results provide direct confirmation that the five-fold surface of i-Al-Pd-Mn is a termination of the bulk structure., Comment: 4 pages, 4 figures