Related papers: Anisotropic work function of elemental crystals
We directly visualize a two-dimensional anisotropic Wigner crystal and its quantum melting in monolayer 1T-ReSe2 using non-invasive scanning tunnelling microscopy. In crystals with anisotropic effective mass, an electron's quantum…
The magnetic anisotropy of antiferromagnets plays a crucial role in stabilising the magnetisation of many spintronic devices. In non-collinear antiferromagnets such as IrMn the symmetry and temperature dependence of the effective anisotropy…
In the framework of density functional theory (DFT) simulations of molecules and materials, anharmonic terms of the potential energy surface are commonly computed numerically, with an associated cost that rapidly increases with the size of…
The recent observation of ferromagnetic order in two-dimensional (2D) materials has initiated a booming interest in the subject of 2D magnetism. In contrast to bulk materials, 2D materials can only exhibit magnetic order in the presence of…
We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…
We have performed neutron diffraction measurement on a single crystal of parent compound of iron-based superconductor, BaFe$_2$As$_2$ at 12~K. In order to investigate in-plane anisotropy of magnetic form factor in the antiferromagnetic…
The metallurgy and materials communities have long known and exploited fundamental links between chemical and structural ordering in metallic solids and their mechanical properties. The highest reported strength achievable through the…
The interface stresses at of the solid-melt interface are, in general, anisotropic. The anisotropy in the interfacial stress can be evaluated using molecular dynamics (MD) and phase field crystal (PFC) models. In this paper, we report our…
Real-world solids, such as rocks, soft tissues, and engineering materials, are often under some form of stress. Most real materials are also, to some degree, anisotropic due to their microstructure, a characteristic often called the…
In this paper, we found new exact solutions to the Einstein- Maxwell system of equations within the framework of MIT Bag Model considering a particular form for the measure of anisotropy and a gravitational potential which depends on an…
The mechanical properties of a solid, which relate its deformation to external applied forces, are key factors in enabling or disabling the use of an otherwise optimal material in any application, strongly influencing also its service…
Electronic and magnetic properties of the heavily H-doped LaFeAsO$_{1-x}$H$_x$ $(x\sim0.5 )$ were studied in the framework of the density functional theory combined with the dynamical mean field theory (DFT+DMFT). We found a…
Active colloidal particles provide versatile model systems for exploring non-equilibrium physics in motile matter. To date, most experimental realizations have focused on spherical particles, largely due to fabrication constraints. However,…
In this paper, a plate model suitable for static and dynamic analysis of inhomogeneous anisotropic multilayered plates is described. This model takes transverse shear variation through the thickness of the plate into account by means of…
We combine density functional theory within the local density approximation, the quasiharmonic approximation, and vibrational density of states to calculate single crystal elastic constants, and bulk and shear moduli of diamond at…
Mechanical and elastic properties of materials are among the most fundamental quantities for many engineering and industrial applications. Here, we present a formulation that is efficient and accurate for calculating the elastic and bending…
AgF2 is a layered material and a correlated charge transfer insulator with an electronic structure very similar to the parent compounds of cuprate high-Tc superconductors. It is also interesting for being a powerful oxidizer. Here we…
Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…
We study the influence of surface anisotropy on the zero-temperature hysteretic properties of a small single-domain magnetic particle, and give an estimation of the anisotropy constant for which deviations from the Stoner-Wohlfarth model…
Data mining is a recognized predictive tool in a variety of areas ranging from bioinformatics and drug design to crystal structure prediction. In the present study, an electronic structure implementation has been combined with structural…