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We introduce a lattice dynamics package which calculates elastic, thermodynamic and thermal transport properties of crystalline materials from data on their force and potential energy as a function of atomic positions. The data can come…

Due to the processes that occur during the functioning of modern electromechanical systems, these systems can be considered complex nonlinear dynamic systems from the point of view of the theory of dynamic systems. The movement of such…

Optimization and Control · Mathematics 2024-12-10 Roman Voliansky

The spinless Falicov-Kimball model exhibits outside the particle-hole symmetric point different stable nonhomogeneous charge orderings. These include the well known charge stripes and a variety of orderings with phase separated domains,…

Strongly Correlated Electrons · Physics 2020-05-07 Rudolf Smorka , Martin Žonda , Michael Thoss

Based on the calculation of the quasiequilibrium statistical sum by means of the functional integration method, we obtained a nonequilibrium statistical operator for the electron subsystem of a semibounded metal in the framework of the…

Statistical Mechanics · Physics 2011-03-15 P. P. Kostrobij , B. M. Markovych , A. I. Vasylenko , M. V. Tokarchuk

Naturally occurring materials are often disordered, with their bulk properties being challenging to predict from the structure, due to the lack of underlying crystalline axes. In this paper, we develop a digital pipeline from…

Disordered Systems and Neural Networks · Physics 2025-04-15 Caitlyn Obrero , Mastawal Tirfe , Carmen Lee , Sourabh Saptarshi , Christopher Rock , Karen E. Daniels , Katherine A. Newhall

We theoretically study transport properties in one-dimensional interacting quasiperiodic systems at infinite temperature. We compare and contrast the dynamical transport properties across the many-body localization (MBL) transition in…

Disordered Systems and Neural Networks · Physics 2017-09-21 F. Setiawan , Dong-Ling Deng , J. H. Pixley

We study a tight binding model including both on site disorder and coupling of the electrons to randomly oriented magnetic moments. The transport properties are calculated via the Kubo-Greenwood scheme, using the exact eigenstates of the…

Disordered Systems and Neural Networks · Physics 2009-11-11 Sanjeev Kumar , Pinaki Majumdar

We study electron transport properties of some molecular wires and a unconventional disordered thin film within the tight-binding framework using Green's function technique. We show that electron transport is significantly affected by…

Mesoscale and Nanoscale Physics · Physics 2009-06-29 Santanu K. Maiti

High entropy alloys present a new class of disordered metals which hold promising prospects for the next generation of materials and technology. However, much of the basic physics underlying these robust, multifunctional materials -- and…

Disordered Systems and Neural Networks · Physics 2023-11-27 Wai-Ga D. Ho , Wasim Raja Mondal , Hanna Terletska , Ka-Ming Tam , Mariia Karabin , Markus Eisenbach , Yang Wang , Vladimir Dobrosavljevic

Accurate models of carrier transport are essential for describing the electronic properties of semiconductor materials. To the best of our knowledge, the current models following the framework of the Boltzmann transport equation (BTE)…

Materials Science · Physics 2015-06-17 Alireza Faghaninia , Joel W. Ager , Cynthia S. Lo

This Perspective describes current computational efforts in the field of simulating photodynamics of transition metal complexes. We present the typical workflows and feature the strengths and limitations of the different contemporary…

Chemical Physics · Physics 2021-07-27 J. Patrick Zobel , Leticia Gonzalez

We study thermal and electrical transport in metals and superconductors near a quantum phase transition where antiferromagnetic order disappears. The same theory can also be applied to quantum phase transitions involving the loss of certain…

Strongly Correlated Electrons · Physics 2017-08-07 Shubhayu Chatterjee , Subir Sachdev , Andreas Eberlein

Viscoelastic description of the electron subsystem of a semi-bounded metal on the basis of the generalized "jellium" model using the method of nonequilibrium statistical Zubarev operator is proposed. The nonequilibrium statistical operator…

Statistical Mechanics · Physics 2012-02-22 P. P. Kostrobij , B. M. Markovych , A. I. Vasylenko , M. V. Tokarchuk

We propose a model to explore the dynamics of spin-systems coupled by exchange interaction to the conduction band electrons of a semiconductor material that forms the channel in a ferromagnet/semiconductor/ferromagnet spin-valve structure.…

Mesoscale and Nanoscale Physics · Physics 2008-11-04 L. Siddiqui , D. Saha , S. Datta , P. Bhattacharya

The discovery of spin supersolid and its giant magnetocaloric effect has opened a new arena in frustrated quantum magnets and cutting-edge cryogenics. The intermetallic EuCo2Al9 (ECA), for the first time, extends this intriguing phase from…

Transport properties of degenerate relativistic electrons along quantizing magnetic fields in neutron star crusts are considered. A kinetic equation is derived for the spin polarization density matrix of electrons. Its solution does not…

Astrophysics · Physics 2011-05-23 A. Y. Potekhin

We numerically investigate the transport properties of disordered interacting electrons in three dimensions in the metallic as well as in the insulating phases. The disordered many-particle problem is modeled by the quantum Coulomb glass…

Mesoscale and Nanoscale Physics · Physics 2016-04-20 Thomas Vojta , Frank Epperlein

Ionic liquids are promising candidates for novel electrolytes as they possess large electrochemical and thermodynamic stability and offer a high degree of tunability. As purely-ionic electrolyte without neutral solvent they exhibit…

Chemical Physics · Physics 2022-01-12 Max Schammer , Birger Horstmann , Arnulf Latz

We show that active transport processes in biological systems can be understood through a local equilibrium description formulated at the mesoscale, the scale to describe stochastic processes. This new approach uses the method established…

Soft Condensed Matter · Physics 2007-05-23 S. Kjelstrup , J. M. Rubi , D. Bedeaux

Electron transmission through molecules and molecular interfaces has been a subject of intensive research due to recent interest in electron transfer phenomena underlying the operation of the scanning tunneling microscope (STM) on one hand,…

Condensed Matter · Physics 2015-06-24 Abraham Nitzan
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