From Green-Kubo to the full Boltzmann kinetic approach to heat transport in crystals and glasses

被引：12
|
作者：
Fiorentino, Alfredo [1 ]
Baroni, Stefano [1 ,2 ]
机构：
[1] Scuola Int Super Studi Avanzati, I-34136 Trieste, Italy
[2] Ist Officina Materiali, SISSA unit, CNR, I-34136 Trieste, Italy
来源：
PHYSICAL REVIEW B | 2023年 / 107卷 / 05期
基金：
欧盟地平线“2020”;
关键词：
STATISTICAL-MECHANICAL THEORY; MARKOV RANDOM-PROCESSES; IRREVERSIBLE-PROCESSES; OPERATOR; STATES;
D O I：
10.1103/PhysRevB.107.054311
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We show that vertex corrections to the quasiharmonic Green-Kubo theory of heat transport in insulators naturally lead to a generalization of the expression for the conductivity that could be derived from the linearized Boltzmann equation, when the effects of the full scattering matrix are accounted for. Our results, which are obtained from the Mori-Zwanzig memory-function formalism, provide a fully ab initio derivation of the linearized Boltzmann transport equation and establish a connection between two recently proposed unified approaches to heat transport in insulating crystals and glasses.
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页数：9
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