First-principles study of structural, optical and elastic properties of cubic HfO2

Physica B: Condensed Matter

Volumn 404, Issue 20, 2009, Pages 3614-3619

  Liu, Qijun ^a   Liu, Zhengtang ^a   Feng, Liping ^a   Xu, Bing ^a  

^a NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

Author keywords

Cubic HfO2; Density functional theory; Elastic properties; Electronic structure; Optical properties

Indexed keywords

ABSORPTION COEFFICIENTS; BULK MODULUS; COMPLEX CONDUCTIVITY; COMPLEX DIELECTRIC FUNCTIONS; ELASTIC PROPERTIES; ENERGY-LOSS SPECTRUM; EXTINCTION COEFFICIENTS; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; GROUND STATE PROPERTIES; IMAGINARY PARTS; LATTICE PARAMETERS; OPTICAL REFLECTIVITY; PEAK POSITION; PLANE WAVE; ULTRASOFT PSEUDOPOTENTIALS;

ABSORPTION SPECTROSCOPY; DENSITY FUNCTIONAL THEORY; ELASTICITY; ELECTRON ENERGY LOSS SPECTROSCOPY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HAFNIUM COMPOUNDS; OPTICAL CONDUCTIVITY; REFRACTIVE INDEX; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

STRUCTURAL PROPERTIES;

EID: 71749084209     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2009.06.061     Document Type: Article

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