Electronic structure, vibrational spectrum, and thermal properties of yttrium nitride: A first-principles study

Journal of Applied Physics

Volumn 109, Issue 7, 2011, Pages

  Saha, Bivas ^a   Sands, Timothy D ^a   Waghmare, Umesh V ^b  

^a PURDUE UNIVERSITY   (United States)

^b JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

Author keywords

[No Author keywords available]

Indexed keywords

BAND GAPS; BOLTZMANN TRANSPORT THEORY; DIPOLE DIPOLE INTERACTIONS; EXCHANGE CORRELATION ENERGY; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; GW APPROXIMATION; LATTICE THERMAL CONDUCTIVITY; LONGITUDINAL OPTICAL; TEMPERATURE DEPENDENT; THERMAL PROPERTIES; THERMOELECTRIC APPLICATION; TRANSVERSE OPTICAL; VOLUME DEFORMATION;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRON MOBILITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; NITRIDES; SEMICONDUCTOR SUPERLATTICES; STATISTICAL MECHANICS; VIBRATIONAL SPECTRA; YTTRIUM; YTTRIUM ALLOYS;

THERMAL CONDUCTIVITY;

EID: 79955412830     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3561499     Document Type: Conference Paper

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