Related papers: Lattice strain at c-Si surfaces: a density functio…
Two theoretical models for the description of the diffraction properties of gradient crystals have been developed, one in the framework of the kinematic theory, the other within a transfer matrix formalism based on the dynamical theory of…
In a continuum description of materials, the stress tensor field $\bar{% \bar{\sigma}}$ quantifies the internal forces the neighbouring regions exert on a region of the material. The classical theory of elastic solids assumes that…
Strain-engineering in SiGe nanostructures is fundamental for the design of optoelectronic devices at the nanoscale. Here we explore a new strategy, where SiGe structures are laterally confined by the Si substrate, to obtain high tensile…
A first-principles method is presented to calculate elastic constants up to the fourth order of crystals with the cubic and hexagonal symmetries. The method relies on the numerical differentiation of the second Piola-Kirchhoff stress tensor…
We report on the determination of high-pressure elasticity from thermal diffuse x-ray scattering of magnesium oxide at pressures up to 28 GPa. We find that the full elasticity tensor as a function of pressure can be extracted from x-ray…
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,…
Materials under complex loading develop large strains and often transition via an elastic instability, as observed in both simple and complex systems. Here, we present Si I under large strain in terms of Lagrangian strain by an…
The measurement of the Si lattice parameter by x-ray interferometry assumes the use of strain-free crystals, which might not be true because of intrinsic stresses due to surface relaxation, reconstruction, and oxidation. We used x-ray…
In this paper I will approach the computation of the maximum density of regular lattices in large dimensions using a statistical mechanics approach. The starting point will be some theorems of Roger, which are virtually unknown in the…
A remarkable theoretical prediction for a crystalline (polymerized) surface is that its Poisson ratio (\sigma) is negative. Using a large scale Monte Carlo simulation of a simple model of such surfaces we show that this is indeed true. The…
Liquid crystal elastomers are rubbery solids that couple liquid crystalline order and deformation. This coupling leads to properties that are attractive for a number of applications in soft robotics and energy absorption. This paper is…
We present x-ray reflectivity and diffuse scattering measurements from the liquid surface of pure potassium. They strongly suggest the existence of atomic layering at the free surface of a pure liquid metal with low surface tension. Prior…
In this study, the Density of States (DOS) of CeO$_2$ was analyzed in detail using the Density Functional Theory (DFT) method based on VASP software. As an important functional material, CeO$_2$ finds wide applications in catalysis, optics,…
Employing density functional theory based calculations, we investigate structural, vibrational and strain-dependent electronic properties of an ultra-thin CdTe crystal structure that can be de- rived from its bulk counterpart. It is found…
We study Bragg scattering at 1D optical lattices. Cold atoms are confined by the optical dipole force at the antinodes of a standing wave generated inside a laser-driven high-finesse cavity. The atoms arrange themselves into a chain of…
We use molecular dynamics computer simulations to study the equilibrium properties of the surface of amorphous silica. Two types of geometries are investigated: i) clusters with different diameters (13.5\AA, 19\AA, and 26.5\AA) and ii) a…
The Fermi surface is an abstract object in the reciprocal space of a crystal lattice, enclosing the set of all those electronic band states that are filled according to the Pauli principle. Its topology is dictated by the underlying lattice…
A seemingly anomalous enhancement of electron mobility in strained silicon inversion layers at high sheet densities has exposed a conspicuous gap between device physics theory and experiment in recent years. We show that the root of this…
Three-dimensional lattices are fundamental to solid-state physics. The description of a lattice with an atomic basis constitutes the necessary information to predict solid phase properties and evolution. Here, we present a new algorithm for…
Silicon (Si) is one of the most abundant elements on Earth, and it is the most important and widely used semiconductor, constituting the basis of modern electronic devices. Despite extensive study, some properties of Si remain elusive. For…