Strategy for the optical property studies in ultraviolet nonlinear optical crystals from density functional theory

Computational Materials Science

Volumn 60, Issue , 2012, Pages 99-104

  Lin, Z S ^a   Kang, Lei ^a,c   Zheng, Tao ^b   He, Ran ^a,c   Huang, He ^d   Chen, C T ^a  

^a TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY   (China)

^b NANJING TECH UNIVERSITY   (China)

^c UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^d Ministry of Civil Affairs of China   (China)

Author keywords

Density functional calculations; Energy band gaps; Exchange correlation functionals; Linear and nonlinear optical properties; Ultraviolet nonlinear optical crystals

Indexed keywords

EXCHANGE-CORRELATION FUNCTIONALS; EXPERIMENTAL PARAMETERS; FUNCTIONAL CALCULATIONS; FUNCTIONALS; HYBRID FUNCTIONALS; NLO CRYSTALS; NON-LINEAR OPTICAL; NON-LINEAR OPTICAL PROPERTIES; NONLINEAR OPTICAL CRYSTAL; NONLOCAL; PREDICTIVE CAPABILITIES;

BAND STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY GAP; NONLINEAR OPTICS;

OPTICAL PROPERTIES;

EID: 84860500594     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2012.03.026     Document Type: Article

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