Statistical Mechanical Calculation of Anisotropic Step Stiffness of a Two-Dimensional Hexagonal Lattice Gas Model with Next-Nearest-Neighbor Interactions: Application to Si(111) Surface

We study a two-dimensional honeycomb lattice gas model with both nearest- and next-nearest-neighbor interactions in a staggered field, which describes the surface of stoichiometrically binary crystal. We calculate anisotropic step tension, step stiffness, and equilibrium island shape, by an extended random walk method. We apply the results to Si(111) 7$\times$7 reconstructed surface and high-temperature Si(111) 1$\times$1 surface. We also calculate inter-step interaction coefficient.Comment: revised on May 29 1999: RevTeX v3.1, 10 pages with 9 figures (one figure added

Non-universal equilibrium crystal shape results from sticky steps

The anisotropic surface free energy, Andreev surface free energy, and equilibrium crystal shape (ECS) z=z(x,y) are calculated numerically using a transfer matrix approach with the density matrix renormalization group (DMRG) method. The adopted surface model is a restricted solid-on-solid (RSOS) model with "sticky" steps, i.e., steps with a point-contact type attraction between them (p-RSOS model). By analyzing the results, we obtain a first-order shape transition on the ECS profile around the (111) facet; and on the curved surface near the (001) facet edge, we obtain shape exponents having values different from those of the universal Gruber-Mullins-Pokrovsky-Talapov (GMPT) class. In order to elucidate the origin of the non-universal shape exponents, we calculate the slope dependence of the mean step height of "step droplets" (bound states of steps) using the Monte Carlo method, where p=(dz/dx, dz/dy)$, and represents the thermal averag |p| dependence of , we derive a |p|-expanded expression for the non-universal surface free energy f_{eff}(p), which contains quadratic terms with respect to |p|. The first-order shape transition and the non-universal shape exponents obtained by the DMRG calculations are reproduced thermodynamically from the non-universal surface free energy f_{eff}(p).Comment: 31 pages, 21 figure

Vicinal Surface with Langmuir Adsorption: A Decorated Restricted Solid-on-solid Model

We study the vicinal surface of the restricted solid-on-solid model coupled with the Langmuir adsorbates which we regard as two-dimensional lattice gas without lateral interaction. The effect of the vapor pressure of the adsorbates in the environmental phase is taken into consideration through the chemical potential. We calculate the surface free energy $f$, the adsorption coverage $\Theta$, the step tension $\gamma$, and the step stiffness $\tilde{\gamma}$ by the transfer matrix method combined with the density-matrix algorithm. Detailed step-density-dependence of $f$ and $\Theta$ is obtained. We draw the roughening transition curve in the plane of the temperature and the chemical potential of adsorbates. We find the multi-reentrant roughening transition accompanying the inverse roughening phenomena. We also find quasi-reentrant behavior in the step tension.Comment: 7 pages, 12 figures (png format), RevTeX 3.1, submitted to Phys. Rev.

Effect of spin-orbit coupling on the excitation spectrum of Andreev billiards

We consider the effect of spin-orbit coupling on the low energy excitation spectrum of an Andreev billiard (a quantum dot weakly coupled to a superconductor), using a dynamical numerical model (the spin Andreev map). Three effects of spin-orbit coupling are obtained in our simulations: In zero magnetic field: (1) the narrowing of the distribution of the excitation gap; (2) the appearance of oscillations in the average density of states. In strong magnetic field: (3) the appearance of a peak in the average density of states at zero energy. All three effects have been predicted by random-matrix theory.Comment: 5 pages, 4 figure

Interacting Boson Theory of the Magnetization Process of the Spin-1/2 Ferromagnetic-Antiferromagnetic Alternating Heisenberg Chain

The low temperature magnetization process of the ferromagnetic-antiferromagnetic Heisenberg chain is studied using the interacting boson approximation. In the low field regime and near the saturation field, the spin wave excitations are approximated by the $\delta$ function boson gas for which the Bethe ansatz solution is available. The finite temperature properties are calculated by solving the integral equation numerically. The comparison is made with Monte Carlo calculation and the limit of the applicability of the present approximation is discussed.Comment: 4 pages, 7 figure

Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions

The new chiral TTF-based donor molecule bis(2-hydroxypropylthio)ethylenedithiotetrathiafulvalene has produced enantiopure R,R and S,S radical cation salts with the tetrafluoroborate anion as well as the nearly isostructural meso/racemate mixture. The enantiopure R,R or S,S salts are both 1:1 semiconducting salts with activation energies of 0.19–0.24 eV, both crystallising in the orthorhombic space group C2221. The semiconducting salt containing both meso and racemic donor cations has a very similar crystal structure but crystallising in the monoclinic space group C2/c (β = 91.39°) with similar S⋯S interactions but a smaller activation energy of 0.15–0.17 eV. This is in contrast to previous families of this type where the disordered racemate has a larger activation energy than its enantiopure salts

Colored Vertex Models, Colored IRF Models and Invariants of Trivalent Colored Graphs

We present formulas for the Clebsch-Gordan coefficients and the Racah coefficients for the root of unity representations ($N$-dimensional representations with $q^{2N}=1$) of $U_q(sl(2))$. We discuss colored vertex models and colored IRF (Interaction Round a Face) models from the color representations of $U_q(sl(2))$. We construct invariants of trivalent colored oriented framed graphs from color representations of $U_q(sl(2))$.Comment: 39 pages, January 199

Pressure dependence of the Shubnikov-de Haas oscillation pectrum of beta''-(BEDT-TTF)4(NH4)[Cr(C2O4)3].DMF

The Shubnikov-de Haas (SdH) oscillation spectra of the beta''-(BEDT-TTF)4(NH4)[Cr(C2O4)\_3].DMF organic metal have been studied in pulsed magnetic fields of up to either 36 T at ambient pressure or 50 T under hydrostatic pressures of up to 1 GPa. The ambient pressure SdH oscillation spectra can be accounted for by up to six fundamental frequencies which points to a rather complex Fermi surface (FS). A noticeable pressure-induced modification of the FS topology is evidenced since the number of frequencies observed in the spectra progressively decreases as the pressure increases. Above 0.8 GPa, only three compensated orbits are observed, as it is the case for several other isostructural salts of the same family at ambient pressure. Contrary to other organic metals, of which the FS can be regarded as a network of orbits, no frequency combinations are observed for the studied salt, likely due to high magnetic breakdown gap values or (and) high disorder level evidenced by Dingle temperatures as large as about 7 K.Comment: To be published in European Physical Journal

Indication for the coexistence of closed orbit and quantum interferometer with the same cross section in the organic metal (ET)4(H3O)[Fe(C2O4)3].C6H4Cl2: Persistence of SdH oscillations above 30 K

Shubnikov-de Haas (SdH) and de Haas-van Alphen (dHvA) oscillations spectra of the quasi-two dimensional charge transfer salt $\beta$"-(ET)$_4$(H$_3$O)[Fe(C$_2$O$_4$)$_3$]$\cdot$C$_6$H$_4$Cl$_2$ have been investigated in pulsed magnetic fields up to 54 T. The data reveal three basic frequencies F$_a$, F$_b$ and F$_{b - a}$, which can be interpreted on the basis of three compensated closed orbits at low temperature. However a very weak thermal damping of the Fourier component F$_b$, with the highest amplitude, is evidenced for SdH spectra above about 6 K. As a result, magnetoresistance oscillations are observed at temperatures higher than 30 K. This feature, which is not observed for dHvA oscillations, is in line with quantum interference, pointing to a Fermi surface reconstruction in this compound.Comment: published in Eur. Phys. J. B 71 203 (2009