Related papers: Accurate construction of transition metal pseudopo…
This work focuses on the thermodynamics of pseudo-elastic models which represent the Mullins effect. Two established models are analyzed theoretically, their thermomechanical properties are derived, and certain critical points are…
The observance of vortex and anti-vortex effects in bulk crystals can prove the existence of phase-disordered superconductivity in the bulk. To gain insights into the mechanisms that govern superconducting transition in copper oxide…
The theory of electron-phonon superconductivity depends on retardation drastically reducing effects of the strong Coulomb repulsion. The standard theory only treats the lowest order diagram, which is an uncontrolled approximation. We study…
For molecules and solids containing heavy elements, accurate electronic structure calculations require accounting not only for electronic correlations but also for relativistic effects. In molecules, relativity can lead to severe changes in…
In this paper we prove the existence of the high-energy tails for electron distribution function of the Boltzmann equation for semiconductors, in the stationary and homogeneous regime, in the analytic band approximation and scattering with…
An intricate interplay between superconductivity, pseudogap and Mott transition, either bandwidth driven or doping driven, occurs in materials. Layered organic conductors and cuprates offer two prime examples. We provide a unified…
The mechanism of high temperature superconductivity is not resolved for so long because the normal state of cuprates is not yet understood. Here we show that the normal state pseudo-gap exhibits an unexpected non-monotonic temperature…
Approximate symmetries abound in Nature. If these symmetries are also spontaneously broken, the would-be Goldstone modes acquire a small mass, or inverse correlation length, and are referred to as pseudo-Goldstones. At nonzero temperature,…
Transition state calculation is a critical technique to understand and predict versatile dynamical phenomena in solids. However, the transition state results obtained at zero Kelvin are often utilized for prediction or interpretation of…
We study the low-energy properties of a truncated Haldane pseudopotential with maximal half filling, which describes a strongly correlated system of spinless bosons in a cylinder geometry. For this Hamiltonian with either open or periodic…
Atomic scale simulations at finite temperature are an ideal approach to study the thermodynamic properties of magnetic transition metals. However, the development of interatomic potentials explicitly taking into account magnetic variables…
Machine learning (ML) has become a commonplace approach in the development of interatomic potentials for molecular dynamics simulations, and its use also for radiation effect modelling is increasing. In this work, we investigate the effects…
We classify possible types of pseudomoduli which arise when supersymmetry is dynamically broken in infrared-free low-energy theories. We show that, even if the pseudomoduli potential is generated only at higher loops, there is a regime…
The third-order elastic moduli and pressure derivatives of the second-order elastic constants of novel B2-type AlRE (RE=Y, Pr, Nd, Tb, Dy, Ce) intermetallics are presented from first-principles calculations. The elastic moduli are obtained…
Some of the most remarkable phenomena---and greatest theoretical challenges---in condensed matter physics arise when $d$ or $f$ electrons are neither fully localized around their host nuclei, nor fully itinerant. This localized/itinerant…
Current multi-component, multiphase pseudo-potential lattice Boltzmann models have thermodynamic inconsistencies that prevent them to correctly predict the thermodynamic phase behavior of partially miscible multi-component mixtures, such as…
In this paper a multi-band envelope-function Hamiltonian for lattice-matched semiconductor heterostructures is derived from first-principles norm-conserving pseudopotentials. The theory is applicable to isovalent or heterovalent…
We formulate a new quasi-Hermitian delta-shell pseudopotential for higher partial wave scattering, and show that any such potential must have an energy-dependent regularization. The quasi-Hermiticity of the Hamiltonian leads to a complete…
A general scheme is developed to deal with 1D lattice systems that could be topologically complicated. It is aimed to give a complete study of two coupled normal metal rings. Our method starts with an investigation of the local expressions…
Plasmonic excitations behave fundamentally different in layered materials in comparison to bulk systems. They form gapless modes, which in turn couple at low energies to the electrons. Thereby they can strongly influence superconducting…