A multiscale approach to liquid crystal nematics via statistical field theory

We propose an approach to a multiscale problem in the theory of thermotropic uniaxial nematics based on the method of statistical field theory. This approach enables us to relate the coefficients $A$, $B$, $C$, $L_1$ and $L_2$ of the Landau-de Gennes free energy for the isotropic-nematic phase transition to the parameters of a molecular model of uniaxial nematics, which we take to be a lattice gas model of nematogenic molecules interacting via a short-ranged potential. We obtain general constraints on the temperature and volume fraction of nematogens for the Landau-de Gennes theory to be stable against molecular orientation fluctuations at quartic order. In particular, for the case of a fully occupied lattice, we compute the values of the isotropic-nematic transition temperature and the order parameter discontinuity predicted by (i) a continuum approximation of the nearest-neighbor Lebwohl-Lasher model and (ii) a Lebwohl-Lasher-type model with a nematogenic interaction of finite range. We find that the predictions of (i) are in reasonably good agreement with known results of MC simulation.Comment: 12 pages, 2 figure

Van der Waals torque and force between anisotropic topological insulator slabs

We investigate the character of the van der Waals (vdW) torque and force between two coplanar and dielectrically anisotropic topological insulator (TI) slabs separated by a vacuum gap in the non-retardation regime, where the optic axes of the slabs are each perpendicular to the normal direction to the slab-gap interface and also generally differently oriented from each other. We find that in addition to the magnetoelectric coupling strength, the anisotropy can also influence the sign of the vdW force, viz., a repulsive vdW force can become attractive if the anistropy is increased sufficiently. In addition, the vdW force oscillates as a function of the angular difference between the optic axes of the TI slabs, being most repulsive/least attractive (least repulsive/most attractive) for angular differences that are integer (half-integer) multiples of $\pi$. Our third finding is that the vdW torque for TI slabs is generally weaker than that for ordinary dielectric slabs. Our work provides the first instance in which the vector potential appears in a calculation of the vdW interaction for which the limit is non-retarded or static.Comment: 10 pages, 4 figure

Molecular recognition by van der Waals interaction between polymers with sequence-specific polarizabilities

We analyze van der Waals interactions between two rigid polymers with sequence-specific, anisotropic polarizabilities along the polymer backbones, so that the dipole moments fluctuate parallel to the polymer backbones. Assuming that each polymer has a quenched-in polarizability sequence which reflects, for example, the polynucleotide sequence of a double-stranded DNA molecule, we study the van der Waals interaction energy between a pair of such polymers with rod-like structure for the cases where their respective polarizability sequences are (i) distinct and (ii) identical, with both zero and non-zero correlation length of the polarizability correlator along the polymer backbones in the latter case. For identical polymers, we find a novel $r^{-5}$ scaling behavior of the van der Waals interaction energy for small inter-polymer separation $r$, in contradistinction to the $r^{-4}$ scaling behavior of distinct polymers, with furthermore a pronounced angular dependence favoring attraction between sufficiently aligned identical polymers. Such behavior can assist the molecular recognition between polymers.Comment: 16 pages, 5 figure

Tuning the magnetism of the top-layer FeAs on BaFe2_{2}As2_{2}(001): First-principles study

The magnetic properties of BaFe$_{2}$As$_{2}$(001) surface have been studied by using first-principles electronic structure calculations. We find that for As-terminated surface the magnetic ground state of the top-layer FeAs is in the staggered dimer antiferromagnetic (AFM) order, while for Ba-terminated surface the collinear (single stripe) AFM order is the most stable. When a certain coverage of Ba or K atoms are deposited onto the As-terminated surface, the calculated energy differences among different AFM orders for the top-layer FeAs on BaFe$_{2}$As$_{2}$(001) can be much reduced, indicating enhanced spin fluctuations. To identify the novel staggered dimer AFM order for the As termination, we have simulated the scanning tunneling microscopy (STM) image for this state, which shows a different $\sqrt{2}\times\sqrt{2}$ pattern from the case of half Ba coverage. Our results suggest: i) the magnetic properties of the top-layer FeAs on BaFe$_{2}$As$_{2}$(001) can be tuned effectively by surface doping; ii) both the surface termination and the AFM order in the top-layer FeAs can affect the STM image of BaFe$_{2}$As$_{2}$(001).Comment: 6 pages, 5 figures, 1 tabl

Exact conservation and breaking of pseudospin symmetry in single particle resonant states

In this contribution we present some results on the study of pseudospin symmetry (PSS) in single particle resonant states. The PSS is a relativistic dynamical symmetry connected with the small component of the nucleon Dirac wave function. Many efforts have been made to study this symmetry in bound states. We recently gave a rigorous justification of the PSS in single particle resonant states by examining the zeros of Jost functions corresponding to the small components of the radial Dirac wave functions and phase shifts of continuum states [1, Phys. Rev. Lett. 109 (2012) 072501]. We have shown that the PSS in single particle resonant states in nuclei is conserved when the attractive scalar and repulsive vector potentials have the same magnitude but opposite sign. Examples of exact conservation and breaking of this symmetry in single particle resonances are given for spherical square-well and Woods-Saxon potentials.Comment: 5 pages, 1 figures; invited talk at the 8th China-Japan Joint Nuclear Physics Symposium (CJJNPS 2012), Beijing, China, 15-19 October 201