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Physica B: Condensed Matter

Volumn 428, Issue , 2013, Pages 89-93

First-principles calculations of structural and electronic properties of Ta2N3 under high pressures

(2) Zhang, Ji Dong a,b Wang, Hai Feng b

a Yili Normal University (China)

b SHIHEZI UNIVERSITY (China)

Author keywords

Electronic property; First principles calculation; High pressure; Phase transition

Indexed keywords

CALCULATIONS; ELECTRONIC PROPERTIES; PHASE TRANSITIONS;

EXPERIMENTAL VALUES; FIRST-PRINCIPLES CALCULATION; HIGH PRESSURE; HYBRIDIZATION ENERGY; ORTHORHOMBIC PHASE; PLANE WAVE PSEUDOPOTENTIAL; STRUCTURAL AND ELECTRONIC PROPERTIES; THEORETICAL STUDY;

DENSITY FUNCTIONAL THEORY;

EID: 84886885814 PISSN: 09214526 EISSN: None Source Type: Journal
DOI: 10.1016/j.physb.2013.07.022 Document Type: Article

Times cited : (6)

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