First-principles study of the structural and electronic properties of VB2 under high pressure

Physica B: Condensed Matter

Volumn 405, Issue 13, 2010, Pages 2768-2771

  Li, Jiaqing ^a   Zhang, Hong ^a   Cheng, Xinlu ^a   Li, Dehua ^b  

^a SICHUAN UNIVERSITY   (China)

^b SICHUAN NORMAL UNIVERSITY   (China)

Author keywords

Density of states; Elastic constants; High pressure; Ionic configuration; Structural properties

Indexed keywords

APPLIED PRESSURE; DENSITY OF STATE; DENSITY OF STATES; FIRST-PRINCIPLES STUDY; HIGH PRESSURE; HYBRIDIZATION ENERGY; IONIC CONFIGURATION; MULLIKEN POPULATION ANALYSIS; PLANE WAVE; PSEUDOPOTENTIALS; STRUCTURAL PARAMETER; ZERO PRESSURE;

DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELECTRONIC PROPERTIES; HIGH PRESSURE ENGINEERING;

STRUCTURAL PROPERTIES;

EID: 77955689515     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.03.030     Document Type: Article

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