Phase stability and electronic structures of stoichiometric tantalum mononitrides

Computational Materials Science

Volumn 44, Issue 2, 2008, Pages 577-580

  Kim, Tae Eun ^a   Han, Seungwu ^a   Son, Won joon ^b   Cho, Eunae ^a   Ahn, Hyo Shin ^a   Shin, Seokmin ^b  

^a Ewha Womans University   (South Korea)

^b Seoul National University   (South Korea)

Author keywords

Density functional calculation; Electronic structure; Jahn Teller distortion; Phase stability; Stoichiometric phase; Structural property; Tantalum nitrides

Indexed keywords

ELECTRIC CONDUCTORS; ELECTRIC CURRENTS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; KETONES; NITRIDES; STRUCTURAL PROPERTIES; TANNING; TANTALUM; TANTALUM COMPOUNDS; TRANSITION METALS;

CARRIER DENSITIES; DENSITY FUNCTIONAL CALCULATION; ELECTRONIC AND STRUCTURAL PROPERTIES; FUNCTIONAL METHODS; JAHN-TELLER DISTORTION; MONONITRIDE; MONONITRIDES; STOICHIOMETRIC PHASE; STOICHIOMETRIC PHASES; TANTALUM NITRIDES; TETRAGONAL STRUCTURES;

PHASE STABILITY;

EID: 55649108430     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.04.017     Document Type: Article

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