Related papers: Anisotropic work function of elemental crystals
We perform a comparative study of the free energies and the density distributions in hard sphere crystals using Monte Carlo simulations and density functional theory (employing Fundamental Measure functionals). Using a recently introduced…
The crystallographic texture of metallic materials is a key microstructural feature that is responsible for the anisotropic behavior, e.g., important in forming operations. In materials science, crystallographic texture is commonly…
The effective impedance of strongly anisotropic polycrystals has been investigated under the conditions of extremely anomalous skin effect. We were interested in finding out how the value of the effective impedance depends on the geometry…
This paper analyzes the non-trivial influence of the material anisotropy on the structural behavior of an anisotropic multilayer planar beam. Indeed, analytical results available in literature are limited to homogeneous beams and several…
Materials' microstructure strongly influences its performance and is thus a critical aspect in design of functional materials. Previous efforts on microstructure mediated design mostly assume isotropy, which is not ideal when material…
Correlation functions of CFT operators with infinite scaling dimension are rich, multifaceted objects that describe physics ranging across classical holography, black hole dynamics, and flat-space scattering amplitudes. In this work, we…
Materials that exhibit a low work function and therefore easily emit electrons into vacuum form the basis of electronic devices used in applications ranging from satellite communications to thermionic energy conversion. W-Ba-O is the…
The ratio of directional strength-to-stiffness is important in governing the relative order in which individual crystals within a polycrystalline aggregate will yield as the aggregate is loaded. In this paper, a strength-to-stiffness…
Anisotropy of interfacial energy is the principal driving force for material microstructure evolution yet its origins remain uncertain and a quantitative description lacking. We present and justify a concise hypothesis on the topography and…
We performed ab initio calculations of the elastic constants of five flexible metal-organic frameworks: MIL-53(Al), MIL-53(Ga), MIL-47 and the square and lozenge structures of DMOF-1. Tensorial analysis of the elastic constants reveal a…
We develop a Monte Carlo framework to analyze the statistics of quantum work in correlated electron systems. Using the Ising-Kondo model in heavy fermions as a paradigmatic platform, we thoroughly illustrate the process of determining the…
The interplay between the Fermi sea anisotropy, electron-electron interaction, and localization phenomena can give rise to exotic many-body phases. An exciting example is an anisotropic two-dimensional (2D) Wigner solid (WS), where…
Optical properties of semiconductors can exhibit strong polarization dependence due to crystalline anisotropy. A number of recent experiments have shown that the photoluminescence intensity in free standing nanowires is polarization…
A new ATSP2K module is presented for evaluating the electron density function of any multiconfiguration Hartree-Fock or configuration interaction wave function in the non relativistic or relativistic Breit-Pauli approximation. It is first…
The work functions of 7Li and 6Li metals have been measured as a function of temperature, by using photoionization of pure isolated metal nanoparticles in a beam. These data reveal a marked isotope effect in the temperature variation of…
We describe a simple method to determine, from ab initio calculations, the complete orientation-dependence of interfacial free energies in solid-state crystalline systems. We illustrate the method with an application to precipitates in the…
We study the three-dimensional Anderson model of localization with anisotropic hopping, i.e. weakly coupled chains and weakly coupled planes. In our extensive numerical study we identify and characterize the metal-insulator transition using…
The ability to reliably predict the structures and stabilities of a molecular crystal and its polymorphs without any prior experimental information would be an invaluable tool for a number of fields, with specific and immediate applications…
A method with which to calculate the Gilbert damping parameter from a real-space electronic structure method is reported here. The anisotropy of the Gilbert damping with respect to the magnetic moment direction and local chemical…
The effective mass of charge carriers is a fundamental descriptor of the electronic structure of materials, and can be used to assess performance in electronics applications, or to screen for thermoelectrics and transparent conductors.…