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Polyethylene (PE) chains, with CH2 groups replaced by CBr2 at regular intervals ("precision PE"), have been observed to exhibit competing polymorphs driven by a preference for quantized fold lengths by Tasaki et al. Motivated by this recent discovery, the crystallisation behaviour of such precision PE chains, 400 carbons long with CBr2 groups placed regularly at every 21st carbon, is investigated using molecular dynamics simulations. The united-monomer model of PE is extended to include dibromo groups, with steric clashes at the bromines reflected in a triple-well bending potential, demonstrating its function as a preferred fold site. Different crystallisation protocols, continuous-cooling and self-seeding, reveal remarkably different crystals. Using self-seeding, the crystalline lamellar thickness increases monotonically with temperature, in quantized multiples of the distance between dibromo units. Polymer chains are observed to fold preferentially at the dibromo groups and such groups appear to be tolerated within the crystal lamellae. On quenching the bromos assemble to form registered layers, not unlike Smectic phases observed in liquid crystals, which confirms the experimental observation of competing Form I and Form I' polymorphs.

A novel model, devised to describe spontaneous chirality synchronization in complex liquids and liquid crystals, is proposed and studied. Segments of ribbon-like molecular columns with left- or right-handed 180degree twist lie on the bonds of a honeycomb lattice so that three ribbons meet in a vertex of the hexagonal honeycomb. The energy of each vertex is a minimum if the three ribbons have the same chirality, -E, and is +E otherwise, and the ground state is homochiral, i.e. all ribbons have the same hand. The energy levels for two vertices linked by a single ribbon are either -2E, 0 and +2 E in this vertex model. Monte Carlo simulations demonstrate that this model is identical to an Ising spin model on a Kagome lattice, for which the site energy structure is quite different. The equivalence of the ordering of the vertex and Ising spin models is also shown analytically. The energy difference between the disordered and ground states, 4J in the spin model, is related to the transition temperature for the Kagome lattice using the exact result, Tc=2.14J. The ordering energy difference for a single site is 50% higher for the vertex model. The thermodynamic energy for the vertex model is corrected by a factor of 1/3 due to double counting and this makes the specific heat of the vertex model also equal to that of the spin model as expected. Other similar models where there is an unusual relation between the site and thermodynamic energies are discussed briefly., Comment: 17 pages, 9 figures

Wereport the results of a sequence of magnetisation and magneto-optical studies on laser ablated thin films of ZnCoAlO and ZnCoO that contain a small amount of metallic cobalt. The results are compared to those expected when all the magnetization is due to isolated metallic clusters of cobalt and with an oxide sample that is almost free from metallic inclusions. Using a variety of direct magnetic measurements and also magnetic circular dichroism we find that there is ferromagnetism within both the oxide and the metallic inclusions, and furthermore that these magnetic components are exchange-coupled when aluminium is included. This enhances both the coercive field and the remanence. Hence the presence of a controlled quantity of metallic nanoparticles in ZnAlO can improve the magnetic response of the oxide, thus giving great advantages for applications in spintronics., Comment: 13 pages, 6 figures

Antiferromagnetically coupled Ising s =3 spins on a triangular lattice are very close to ordering at zero temperature. The low temperature behaviour of a triangular lattice with Ising spins s =3 has been simulated by using both Glauber and Kawasaki dynamics. The formation of misfit clusters, which are essential for destabilizing the ordered state, are inhibited by the use of Kawasaki dynamics. The sublattice susceptibilities and the sublattice order parameter are found to depend qualitatively on the dynamics used so that robust ordering occurs when Kawasaki dynamics are employed. The thermal behaviour that is found for the spin model with Kawasaki dynamics gives insight into the observed ordering of side chains seen in a tetraphilic liquid crystal., Comment: 10 pages 3 figures

We have performed Monte Carlo simulations to investigate the temperature dependence of the ordering of the side chains of the X-shape liquid crystal molecules which are arranged in a hexagonal array. Each hexagon contains six side chains, one from each side of the hexagon. Each liquid crystal molecule has two, dissimilar, side chains, one that contains silicon and one containing fluorine. Like chains attract each other more strongly than unlike chains and this drives an order-disorder transition. The system is frustrated because it is not possible to find a configuration in which all the hexagons are occupied by either all silicon or all fluorine chains. There are two phase transitions. If only pairwise interactions are included it is found that there is a novel fluctuating phase between the disordered phase and the fully ordered ground state. This did not agree with the experiments where an intermediate phase was seen that had long range order on one of the three sublattices. Agreement was found when the calculations were modified to include attractive three body interactions between the silicon chains., Comment: Accepted in Physical Review E 26 pages including 7 figures

The difference in the transmission for left and right circularly polarised light though thin films on substrates in a magnetic field is used to obtain the magnetic circular dichroism of the film. However there are reflections at all the interfaces and these are also different for the two polarisations and generate the polar Kerr signal. In this paper the contribution to the differences to the total transmission from the transmission across interfaces as well as the differences in absorption in the film and the substrate are calculated. This gives a guide to when it is necessary to evaluate these corrections in order to obtain the real MCD from a measure of the differential transmission due to differential absorption in the film., Comment: 9 pages

Electrical manipulation of lattice, charge, and spin has been realized respectively by the piezoelectric effect, field-effect transistor, and electric field control of ferromagnetism, bringing about dramatic promotions both in fundamental research and industrial production. However, it is generally accepted that the orbital of materials are impossible to be altered once they have been made. Here we use electric-field to dynamically tune the electronic phase transition in (La,Sr)MnO3 films with different Mn^4+/(Mn^3+ + Mn^4+) ratios. The orbital occupancy and corresponding magnetic anisotropy of these thin films are manipulated by gate voltage in a reversible and quantitative manner. Positive gate voltage increases the proportion of occupancy of the orbital and magnetic anisotropy that were initially favored by strain (irrespective of tensile and compressive), while negative gate voltage reduces the concomitant preferential orbital occupancy and magnetic anisotropy. Besides its fundamental significance in orbital physics, our findings might advance the process towards practical oxide-electronics based on orbital., Comment: 19 pages, 4 figures. Accepted by Adv. Funct. Mater

This paper has a pedagogical introduction. We describe the correct method for performing Monte Carlo simulations of Ising model systems with spin greater than one half. Correct and incorrect procedures are clearly outlined and the consequences of using the incorrect procedure are shown. The difference between Kawasaki and Glauber dynamics is then outlined and both methods are applied to the antiferromagnetic square and triangular lattices for S =1., Comment: 12 pages, 4 figures

Room temperature ferromagnetism was observed in In$_2$O$_3 thin films doped with 5 at.% vanadium, prepared by pulsed laser deposition at substrate temperatures ranging from 300 to 600 $\,^{\circ}{\rm C}$. X-ray absorption fine structure measurement indicated that vanadium was substitutionally dissolved in the In$_2$O$_3$ host lattice, thus excluding the existence of secondary phases of vanadium compounds. Magnetic measurements based on SQUID magnetometry and magnetic circular dichroism confirm that the magnetism is at grain boundaries and also in the grains. The overall magnetization originates from the competing effects between grains and grain boundaries., Comment: 12 pages, 7 figures, 1 table, accepted by Europhysics Letters

We have observed room temperature ferromagnetism (FM) in In$_2$O$_3$ thin films doped with either 5 at.% Mn or Fe, prepared by pulsed laser deposition (PLD) at substrate temperatures ranging from 300 to 600$\,^{\circ}{\rm C}$. The dependence of saturation magnetization on grain size was investigated for both types of In$_2$O$_3$ films. It is revealed that, for the Mn-doped films, the magnetization was largest with small grains, indicating the importance of grain boundaries. In contrast, for Fe-doped films, the largest magnetization was observed with large grains., Comment: 13 pages, 5 figures, will be published in APL Materials

Films of oxides doped with transition metals are frequently believed to have magnetic inclusions. Magnetic methods to determine the amount of nanophases and their magnetic characteristics are described. The amount of the sample that is paramagnetic may also be measured. Optical methods are described and shown to be very powerful to determine which defects are also magnetic., Comment: Manuscript of poster to be presented at MMM-Intermag 2010. Accepted for publication in Magnetic Trans of IEEE

Landau theory is used to investigate the behaviour of a metallic magnet driven towards a quantum critical point by the application of pressure. The observed dependence of the transition temperature with pressure is used to show that the coupling of the magnetic order to the lattice diverges as the quantum critical point is approached. This means that a first order transition will occur in magnets (both ferromagnets and antiferromagnets) because of the coupling to the lattice. The Landau equations are solved numerically without further approximations. There are other mechanisms that can cause a first order transition so the significance of this work is that it will enable us to determine the extent to which any particular first order transition is driven by coupling to the lattice or if other causes are responsible., Comment: 12 pages including 5 figures, to be presented at MMM-Intermag conference and accepted for publication in Journal of Applied Physics

We use point contact Andreev reflection measurements to determine the spin polarization of the transport current in pulse laser deposited thin films of ZnO with 1% Al and with and without 2%Mn. Only films with Mn are ferromagnetic and show spin polarization of the transport current of up to 55 $\pm$ 0.5% at 4.2 K, in sharp contrast to measurements of the nonmagnetic films without Mn where the polarization is consistent with zero. Our results imply strongly that ferromagnetism in these Al doped ZnO films requires the presence of Mn., Comment: Published version

Multilayer films of ZnO with Co were deposited on glass substrates then annealed in a vacuum. The magnetisation of the films increased with annealing but not the magnitude of the magneto-optical signals. The dielectric functions for the films were calculated using the MCD spectra. A Maxwell Garnett theory of a metallic Co/ZnO mixture is presented. The extent to which this explains the MCD spectra taken on the films is discussed., Comment: This paper was presented at ICM (2009) and is accepted in this form for the proceedings

A dynamic model of the asymmetric Ising glass is presented: an Ising model with antiferromagnet bonds with probabilities q arranged at random in a ferromagnetic matrix. The dynamics is introduced by changing the arrangement of the antiferromagnetic bonds after n Monte Carlo steps but keeping the same value of q and spin configuration. In the region where there is a second order transition between the ferromagnetic and paramagnetic states the dynamic behaviour follows that expected for motional narrowing and reverts to the static behaviour only for large n. There is a different dynamic behaviour where there is a first order transition between the ferromagnetic and spin glass states where it shows no effects of motional narrowing. The implications of this are discussed. This model is devised to explain the properties of doped ZnO where the magnetisation is reduced when the exchange interactions change with time., Comment: Paper was presented at MMM 2008 and is accepted for publication in J.A.P