Crystal Structures of and Displacive Transitions in OsN2, IrN2, RuN2, and RhN2

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...

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Bibliographic Details
Published in:Angewandte Chemie International Edition 2007-01, Vol.46 (7), p.1136-1140
Main Authors: Yu, Rong, Zhan, Qian, De Jonghe, Lutgard C.
Format: Article
Language:English
Subjects:
density functional calculations
high-pressure chemistry
nitrides
noble metals
phase transitions
Online Access:Get full text
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Summary: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.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.200604151