Optical and mechanical properties of C, Si, Ge, and 3C-SiC determined by first-principles theory using Heyd-Scuseria-Ernzerhof functional

Materials Science in Semiconductor Processing

Volumn 16, Issue 6, 2013, Pages 1369-1376

  Liu, Xuejie ^a   Li, Liangfang ^a   Li, Qianqian ^b   Li, Ying ^b   Lu, Feng ^b  

^a INNER MONGOLIA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b HEBEI UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Electronic structure; First principle; Heyd Scuseria Ernzerhof functional; Mechanical property; Optical property

Indexed keywords

ELECTRONIC STATE DENSITY; FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; HEYD-SCUSERIA-ERNZERHOF FUNCTIONAL; MECHANICAL PROPERTIES OF MATERIALS; OPTICAL AND MECHANICAL PROPERTIES; PROJECTOR AUGMENTED WAVES;

ANISOTROPY; DENSITY FUNCTIONAL THEORY; DIAMONDS; ELASTIC MODULI; ELECTRONIC STATES; ELECTRONIC STRUCTURE; ENERGY GAP; FRACTURE MECHANICS; GERMANIUM; MECHANICAL PROPERTIES; OPTICAL PROPERTIES; REFRACTIVE INDEX; SEMICONDUCTING SILICON; SILICON; SILICON CARBIDE;

CALCULATIONS;

EID: 84880080703     PISSN: 13698001     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.mssp.2013.04.017     Document Type: Article

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