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Thermal conductivity of ZnSe by molecular dynamics simulation
Author(s) -
Balasubramanian A. K.,
Sankar N.,
Ramakrishnan S. K.,
Ramachandran K.
Publication year - 2004
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.200310224
Subject(s) - thermal diffusivity , thermal conductivity , molecular dynamics , photoacoustic imaging in biomedicine , crystal (programming language) , thermal , chemical physics , materials science , conductivity , thermodynamics , chemistry , optics , computational chemistry , composite material , physics , computer science , programming language
Molecular dynamics simulation using the new fit of the empirical Tersoff Potential is applied to study the thermal properties of ZnSe at and below the room temperature. The resulting diffusivity and thermal conductivity are compared with the photoacoustic measurements on the grown ZnSe crystal. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)