Crystal structures of and displacive transitions in OsN2, IrN2, RuN2, and RhN2

被引：111

作者：

Yu, Rong ^{[1
]}

Zhan, Qian

De Jonghe, Lutgard C.

机构：

[1] Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA

[2] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA

[3] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2007年 / 46卷 / 07期

关键词：

density functional calculations; high-pressure chemistry; nitrides; noble metals; phase transitions;

D O I：

10.1002/anie.200604151

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Unexpected crystal structures: The noble-metal pernitrides OsN2 and IrN2 are found to adopt structure types never before observed in nitrides (see picture; Os/ Ir blue, N green). Furthermore, the crystal structures of RuN2 and RhN2, which have yet to be synthesized, are predicted. A pressure-induced displacive phase transition and a semiconductor-metal transition are predicted for IrN2. (Figure Presented). © 2007 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：1136 / 1140

页数：5

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