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First‐Principles Calculation of Transport and Thermoelectric Coefficients in Liquid Ge 2 Sb 2 Te 5
Author(s) -
Baratella Dario,
Dragoni Daniele,
Bernasconi Marco
Publication year - 2022
Publication title -
physica status solidi (rrl) – rapid research letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.786
H-Index - 68
eISSN - 1862-6270
pISSN - 1862-6254
DOI - 10.1002/pssr.202100470
Subject(s) - thermoelectric effect , seebeck coefficient , thermal conductivity , materials science , liquid phase , molecular dynamics , electrical resistivity and conductivity , thermodynamics , thermoelectric materials , thermal , phase (matter) , condensed matter physics , physics , chemistry , computational chemistry , quantum mechanics
Thermoelectric effects play an important role in the programming operations of phase‐change memories. The electrothermal modeling of the device thus requires the knowledge of transport coefficients such as the electrical and thermal conductivities and the Seebeck coefficient at different temperatures. Herein, these transport coefficients of liquid Ge 2 Sb 2 Te 5 at a few temperatures above melting are calculated by means of density functional molecular dynamics simulations.