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Nuclear spin-lattice relaxation in one-dimensional Heisenberg ferrimagnets is studied by means of a modified spin-wave theory. Calculating beyond the first-order mechanism, where a nuclear spin directly interacts with spin waves through the hyperfine coupling, we demonstrate that the exchange-scattering-enhanced three-magnon nuclear relaxation may generally predominate over the Raman one with increasing temperature and decreasing field. Recent proton spin-lattice relaxation-time (T_1_) measurements on the ferrimagnetic chain compound NiCu(C_7_H_6_N_2_O_6_)(H_2_O)_3_2H_2_O suggest that the major contribution to 1/T_1_ be made by the three-magnon scattering., Comment: 8 pages, 5 figures

The transport properties of quantum systems are one of the most interesting current topics in statistical physics. Heat transport can directly be observed through thermal conductivity measurements, while spin transport can be extracted from nuclear spin–lattice relaxation-time measurements. Numerous experiments have indeed been performed in an attempt to settle the argument about whether finite-temperature energy transport should be diffusive or ballistic. From the theoretical point of view, there is an argument that integrable Hamiltonians exhibit ballistic transport, whereas nonintegrable ones are diffusive or insulators. Since nonintegrable systems have much less been studied in this context so far, we investigate spin-½ ferromagnetic-antiferromagnetic bond-alternating chains, which exhibit common features of Haldane-gap antiferromagnets. Employing the Jordan–Wigner spinless-fermion representation, their level statistics is investigated by the exact-diagonalization method. We argue a possibility of the...

The optical conductivity of photogenerated solitons in quasi-one-dimensional halogen-bridged binuclear metal (MMX) complexes is investigated with particular emphasis on a comparison between the two family compounds R_4_[Pt_2_(P_2_O_5_H_2_)_4_X]nH_2_O (X=Cl,Br,I;R=NH_4_,Na,K,...; pop=diphosphonate=P_2_O_5_H_2_^2-^) and Pt_2_(dta)_4_I (dta=dithioacetate=CH_3_CS_2_^-^). Soliton-induced absorption spectra for the pop complexes should split into two bands, while those for the dta complex should consist of a single band.

Nuclear spin-lattice relaxation in one-dimensional Heisenberg ferrimagnets is studied by means of a modified spin-wave theory. We consider the second-order process, where a nuclear spin flip induces virtual spin waves which are then scattered thermally via the four-magnon exchange interaction, as well as the first-order process, where a nuclear spin directly interacts with spin waves via the hyperfine interaction. We point out a possibility of the three-magnon relaxation process predominating over the Raman one and suggest model experiments., to be published in J. Phys. Soc. Jpn. 73, No. 6 (2004)

The pressure effects on an S = 1 Haldane compound Ni(C 5 H 14 N 2 ) 2 N 3 (PF 6 ) (NDMAP) have been investigated through the magnetic susceptibility (χ) measurements using single crystalline sample...

We propose a new scheme for modifying conventional spin waves so as to precisely describe low-dimensional Heisenberg ferrimagnets at finite temperatures. What is called the modified spin-wave theory was initiated by Takahashi, who intended to calculate the low-temperature thermodynamics of low-dimensional Heisenberg ferromagnets, where Holstein–Primakoff bosons are constrained to keep the total uniform magnetization zero in a straightforward manner. If the concept of an ideal Bose gas with a fixed density is applied to antiferromagnets and ferrimagnets, the formulation is no longer trivial, having rich variety in the way how the conventional spin waves, especially those in ferrimagnets, are constrained and brought into interaction. Which magnetization should be kept zero, uniform, staggered, or both? One or more chemical potentials can be introduced so as to satisfy the relevant constraint condition either in diagonalizing the Hamiltonian or in minimizing the free energy, making the Bogoliubov transformat...

Quantum and thermal behaviors of low-dimensional mixed-spin systems are investigated with particular emphasis on the design of molecule-based ferromagnets. One can obtain a molecular ferromagnet by assembling molecular bricks so as to construct a low-dimensional system with a magnetic ground state and then coupling the chains or the layers again in a ferromagnetic fashion. Two of thus-constructed quasi-one-dimensional bimetallic compounds are qualitatively viewed within the spin-wave treatment, one of which successfully grows into a bulk magnet, while the other of which ends in a singlet ground state. Then, concentrating on the ferrimagnetic arrangement on a two-leg ladder which is well indicative of general coupled-chain ferrimagnets, we develop the spin-wave theory and fully reveal its low-energy structure. We inquire further into the ferromagnetic aspect of the ferrimagnetic ladder numerically calculating the sublattice magnetization and the magnetic susceptibility. There exists a moderate coupling strength between the chains in order to obtain the most ferromagnetic ferrimagnet., Comment: 10 pages, 7 figures embedded, to be published in J. Phys. Soc. Jpn. Vol.70, No.5 (2001)

Ground-state properties of S =1 antiferromagnetic Heisenberg chains with bond alternation, H = J ∑ i {1-(-1) i δ} S i · S i +1 , are studied by a quantum Monte Carlo method. Spin correlation between chain ends on the open chain appears for δ

Thermodynamic properties of S =1 antiferromagnetic Heisenberg chains with free and periodic boundaries are investigated by means of a quantum Monte Carlo method. The specific heat is shown to have a peak at a temperature T peak ∼2Δ, where Δ is the energy gap of the present model, although global shape of the temperature dependence is very similar to the Schottky type specific heat. In open chains, due to the four-fold degeneracy of the ground state, the magnetic susceptibility shows a Curie-like divergence regardless of the number of spins. The extracted diverging part is consistent with the edge moment S =1/2.

A tractable direct optimization algorithm is developed to optimize orbitals in the Slater determinants (S-dets) in a resonating Hartree-Fock (Res HF) wave function. We reduce the variation space using the orbitals to put the first order energy variation in the steepest descent direction. The orbitals in the next iteration are determined so as to minimize the energy functional including up to the second order variation. This algorithm is applied to the one dimensional Hubbard model of half-filling. The optimized S-dets much deviate from the trial S-dets prepared from the HF calculations. The Res HF ground state generated with a few S-dets explains from 99.9 to 95.0% of the ground state correlation energy in all the correlation regimes. We have spin correlation functions with the correct short and long range behaviors and the lowest triplet and singlet spin excitations with correct dispersions, suggesting that the optimization of orbitals incorporates long range spin fluctuations and their mode-mode couplings.

The electronic structure of the strongly correlated one dimensional Hubbard model is calculated by the resonating Hartree-Fock (Res HF) method. In the strong correlation regime with the Coulomb repulsion U >∼6, SDW solitons localize almost on the central two sites and only one kind of neutral soliton pair has a much smaller energy than the other pairs. As quantum fluctuations in a periodic chain with 12 sites, we consider up to three diradical breathers consisting of the low energy neutral soliton pair. The Res HF ground state can explain 77.8% ( U =6) and 80.1% ( U =8) of the exact correlation energy. This is much better than the Gutzwiller method to use the SDW as the reference state that explains about 50% of the correlation energy. The breather fluctuations explain the rapid decreases in the short distance of the spin and staggered spin correlation functions. Other correlation functions and the excited states due to the quantum fluctuations are studied.

We present a theory for the metallic phase of heavily doped polyacetylene. The Hartree-Fock (HF) ground state in this system is a charged soliton (S ± ) lattice that has a nearly periodic long range order in the charge density as well as the one in lattice distortion. We take account of electronic correlation effects by considering superpolarons (SP's) as local fluctuations in the electronic order parameter (OP). They are electrons and holes injected into a S ± lattice that make no lattice distortions but are selftrapped and make local defects in the electronic OP. They make intrachain quantum translation and interchain hopping through dopants. The formation energy of a SP pair is reduced by these quantum motions and become negative in a high doping regime. Therefore, the ground state in this regime is a S ± lattice with spontaneously produced SP's. The SP's may be regarded as Fermion quasi-particles. Since they partially occupy the translational bands of SP's, metallic properties appear in this phase.

We study photoinduced phase transitions in linear homocyclic and heterocyclic aromatic polymers, numerically solving the time-dependent Schrodinger equation and observing the photoinduced optical c...

Motivated by the stimulative NMR observations of field-induced level crossings in molecular antiferromagnetic rings, we construct a microscopic theory of the spin dynamics in single-crystalline Cr 8 F 8 pivalates. We reproduce the low-temperature 1 H NMR relaxation rate 1/ T 1 as a function of magnetic field, which is single-peaked as usual but double-peaked intriguingly around the first and second level crossings, respectively. It is not poor crystallization such as mosaicity and gemination, but combined efforts of weak intramolecular antisymmetric interactions and nonnegligible intermolecular couplings that should split 1/ T 1 peaks substantially.

There exist two types of structural instability in polyacene: double bonds in a cis pattern and those in a trans pattern. They are isoenergetic but spectroscopically distinct. We demonstrate optical characterization and manipulation of Peierls-distorted polyacene employing both correlated and uncorrelated Hamiltonians. We clarify the phase boundaries of the cis- and trans-distorted isomers, elucidate their optical-conductivity spectra, and then explore their photoresponses. There occurs a photoinduced transformation in the polyacene structure, but it is one-way switching: The trans configuration is well convertible into the cis one, whereas the reverse conversion is much less feasible. Even the weakest light irradiation can cause a transition of uncorrelated electrons, while correlated electrons have a transition threshold against light irradiation., Comment: 14 pages with 15 figures embedded

The nuclear spin-lattice relaxation rate 1/T_1_ is calculated for magnetic ring clusters by fully diagonalizing their microscopic spin Hamiltonians. Whether the nearest-neighbor exchange interaction J is ferromagnetic or antiferromagnetic, 1/T_1_ versus temperature T in ring nanomagnets may be peaked at around k_B_T=|J| provided the lifetime broadening of discrete energy levels is in proportion to T^3^. Experimental findings for ferromagnetic and antiferromagnetic Cu^II^ rings are reproduced with crucial contributions of magnetic anisotropies as well as acoustic phonons., 5 pages with 5 figures embedded, to be published in J. Phys. Soc. Jpn. 75, No. 10 (2006)

The nuclear spin-lattice relaxation time $T_1$ of $^{31}P$ nuclei in the title compound is measured for the first time and interpreted in terms of a modified spin-wave theory. We establish a novel scenario for one-dimensional ferrimagnetic spin dynamics -- it is three-magnon processes enhanced by exchange scattering, rather than Raman processes, that make the major contribution to $1/T_1$., Comment: 6 pages with 7 figures embedded