High-pressure structural, electronic and optical properties of KMgF3: A first-principles study

Journal of Alloys and Compounds

Volumn 484, Issue 1-2, 2009, Pages 597-600

  Cui, Shouxin ^a   Feng, Wenxia ^a   Hu, Haiquan ^a   Feng, Zhenbao ^a   Wang, Yuanxu ^b  

^a LIAOCHENG UNIVERSITY   (China)

^b HENAN UNIVERSITY   (China)

Author keywords

Elasticity; Electronic band structure; Equation of state; Optical properties

Indexed keywords

CHARGE-DENSITY DISTRIBUTION; D-OCCUPATION; ELECTRONIC BAND STRUCTURE; EQUATION OF STATE; FIRST-PRINCIPLES STUDY; INDIRECT BAND GAP; IONIC INTERACTION; POSITIVE PRESSURE; PRESSURE RANGES; PSEUDOPOTENTIAL PLANE-WAVE METHOD;

BAND STRUCTURE; DENSITY FUNCTIONAL THEORY; ELASTICITY; EQUATIONS OF STATE; HYDROSTATIC PRESSURE; ORGANIC POLYMERS; REFRACTIVE INDEX; WAVE FUNCTIONS;

STRUCTURAL PROPERTIES;

EID: 69949107534     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2009.05.005     Document Type: Article

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