1,677 research outputs found
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)
77 reconstructed surface and high-temperature Si(111) 11
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
Radical-cation salts of BEDT-TTF with lithium tris(oxalato)metallate(III)
The first radical-cation salts in the extensive family (BEDT-TTF)x[(A)M(C2O4)3]·Guest containing lithium as the counter cation have been synthesized and characterised
Effects of electron correlations and chemical pressures on superconductivity of β''-type organic compounds
We investigate low-temperature electronic states of the series of organic conductors β'' - [bis(ethylenedithio)tetrathiafulvalene] 4[(H3O)M(C2O4)3] G, where M and G represent trivalent metalions and guest organic molecules, respectively. Our structural analyses reveal that the replacement of M and G give rise to systematic change in the cell parameters, especially in the b-axis length, which has a positive correlation with the superconducting transition temperature Tc. Analysis of temperature and magnetic field dependences of the electrical resistance including the Shubnikov–de Haas oscillations elucidates that the variation of charge disproportionation, the effective mass, and the number of itinerant carriers can be systematically explained by the change of the b-axis length. The changes of the transfer integrals induced by stretching/compressing the b axis are confirmed by the band calculation. We discuss that electron correlations in quarter-filled electronic bands lead to charge disproportionation and the possibility of a novel pairing mechanism of superconductivity mediated by charge degrees of freedom
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 , the adsorption coverage
, the step tension , and the step stiffness by
the transfer matrix method combined with the density-matrix algorithm. Detailed
step-density-dependence of and 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.
Anion polarity-induced dual oxidation states in a dual-layered purely organic paramagnetic charge-transfer salt, (TTF)3(PO-CON(CH3)C2H4SO3)2, where PO = 2,2,5,5-tetramethyl-3-pyrrolin-1-oxyl free radical
Flexible construction of hierarchical scale-free networks with general exponent
Extensive studies have been done to understand the principles behind
architectures of real networks. Recently, evidences for hierarchical
organization in many real networks have also been reported. Here, we present a
new hierarchical model which reproduces the main experimental properties
observed in real networks: scale-free of degree distribution (frequency
of the nodes that are connected to other nodes decays as a power-law
) and power-law scaling of the clustering coefficient
. The major novelties of our model can be summarized as
follows: {\it (a)} The model generates networks with scale-free distribution
for the degree of nodes with general exponent , and arbitrarily
close to any specified value, being able to reproduce most of the observed
hierarchical scale-free topologies. In contrast, previous models can not obtain
values of . {\it (b)} Our model has structural flexibility
because {\it (i)} it can incorporate various types of basic building blocks
(e.g., triangles, tetrahedrons and, in general, fully connected clusters of
nodes) and {\it (ii)} it allows a large variety of configurations (i.e., the
model can use more than copies of basic blocks of nodes). The
structural features of our proposed model might lead to a better understanding
of architectures of biological and non-biological networks.Comment: RevTeX, 5 pages, 4 figure
Product Wave Function Renormalization Group: construction from the matrix product point of view
We present a construction of a matrix product state (MPS) that approximates
the largest-eigenvalue eigenvector of a transfer matrix T, for the purpose of
rapidly performing the infinite system density matrix renormalization group
(DMRG) method applied to two-dimensional classical lattice models. We use the
fact that the largest-eigenvalue eigenvector of T can be approximated by a
state vector created from the upper or lower half of a finite size cluster.
Decomposition of the obtained state vector into the MPS gives a way of
extending the MPS, at the system size increment process in the infinite system
DMRG algorithm. As a result, we successfully give the physical interpretation
of the product wave function renormalization group (PWFRG) method, and obtain
its appropriate initial condition.Comment: 8 pages, 8 figure
Fluctuations of an Atomic Ledge Bordering a Crystalline Facet
When a high symmetry facet joins the rounded part of a crystal, the step line
density vanishes as sqrt(r) with r denoting the distance from the facet edge.
This means that the ledge bordering the facet has a lot of space to meander as
caused by thermal activation. We investigate the statistical properties of the
border ledge fluctuations. In the scaling regime they turn out to be
non-Gaussian and related to the edge statistics of GUE multi-matrix models.Comment: Version with major revisions -- RevTeX, 4 pages, 2 figure
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