First-principles study of thermoelectric and lattice vibrational properties of chalcopyrite CuGaTe2

Journal of Alloys and Compounds

Volumn 570, Issue , 2013, Pages 150-155

  Zou, Daifeng ^a   Xie, Shuhong ^a   Liu, Yunya ^a   Lin, Jianguo ^a   Li, Jiangyu ^b  

^a XIANGTAN UNIVERSITY   (China)

^b University of Washington   (United States)

Author keywords

CuGaTe2; First principles; Thermoelectric; Vibrational properties

Indexed keywords

CUGATE2; DENSITY FUNCTIONAL PERTURBATION THEORY; FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION; LOW-FREQUENCY VIBRATIONAL MODES; THERMOELECTRIC; THERMOELECTRIC PERFORMANCE; VIBRATIONAL PROPERTIES;

CALCULATIONS; ELECTRIC POWER FACTOR; ELECTRONIC STRUCTURE; SPECIFIC HEAT; STATISTICAL MECHANICS; THERMOELECTRICITY;

THERMAL CONDUCTIVITY;

EID: 84877304301     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2013.03.174     Document Type: Article

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