Open AccessElectronic structure and physical properties of γ-Si3N4 under high pressure
Author(s) -
Ding Ying-Chun,
Ming Xu,
Pan Hong-Zhe,
Ying Shen,
Weiliang Zhu,
Hongliang He
Publication year - 2007
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.56.117
Subject(s) - materials science , electronic structure , plane wave , high pressure , plane (geometry) , condensed matter physics , thermodynamics , optics , physics , geometry , mathematics
The pressure-dependent electronic structure and physical properties of γ- Si3N4 have been calculated by means of plane wave pseudo-potential method (PWP) using GGA-PW91. Based on the calculations, we analyzed the influence of pressure on the optical and mechanical properties γ-Si3N4, which indicates that γ-Si3N4 is quite suitable for applications under high pressure.