Structural phase transformation of GdN under high-pressure: an exact exchange study

被引：4

作者：

Al-Sharif, AI ^{[1
]}

机构：

[1] Yarmouk Univ, Fac Sci, Dept Phys, Irbid 21163, Jordan

来源：

SOLID STATE COMMUNICATIONS | 2005年 / 135卷 / 08期

关键词：

semiconductors; equation of state; phase transitions;

D O I：

10.1016/j.ssc.2005.05.032

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 [凝聚态物理];

摘要：

The phase transformation of GaN under high pressure is theoretically studied in the KS-DFT framework using the EXX method. Both KLI and LDA pseudopotentials were tried. The LDA-PP result for the transition pressure is 41.7 GPa while that of the KLI-PP is 41.5 GPa. Both results are in a very good agreement with the latest experimental value of 42 GPa. The effect of the nonlinear core correction is found to be small but not negligible. (C) 2005 Elsevier Ltd. All rights reserved.

引用

页码：515 / 518

页数：4

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