Journal
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
Volume 245, Issue 8, Pages 1580-1585Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/pssb.200844065
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Using the plane-wave pseudopotential method within the generalized gradient approximation, we have studied the structural stability and electronic structures for several TaN phases. Our results show CoSn is the calculated ground-state structure of TaN among the five crystallographic structures that have been studied. The order of energetic stability of phase structures of TaN from low to high is: CsCl
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