A minimal Tersoff potential for diamond silicon with improved descriptions of elastic and phonon transport properties

Silicon is an important material and many empirical interatomic potentials have been developed for atomistic simulations of it. Among them, the Tersoff potential and its variants are the most popular ones. However, all the existing Tersoff-like potentials fail to reproduce the experimentally measure...

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Bibliographic Details
Main Authors: Zheyong Fan, Yanzhou Wang, Xiaokun Gu, Ping Qian, Yanjing Su, Tapio Ala-Nissila
Format: Default Article
Published: 2019
Subjects:
Condensed matter physics not elsewhere classified
Tersoff potential
empirical potential fitting
genetic algorithm
thermal conductivity
phonon dispersion
molecular dynamics (MD) simulation
graphics processing units
Condensed Matter Physics
Online Access:https://hdl.handle.net/2134/14236574.v1
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https://hdl.handle.net/2134/14236574.v1

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