Energy band gap engineering in borate ultraviolet nonlinear optical crystals: Abinitio studies

Journal of Physics Condensed Matter

Volumn 24, Issue 14, 2012, Pages

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

^a TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^c NANJING TECH UNIVERSITY   (China)

^d Ministry of Civil Affairs of China   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; COORDINATION ENVIRONMENT; ENERGY BANDGAPS; FIRST-PRINCIPLES STUDY; MODEL ANALYSIS; NON-BONDING ORBITAL; NONLINEAR OPTICAL CRYSTAL; ORBITALS; OXYGEN ATOM; ULTRA-VIOLET;

ELECTRONIC STRUCTURE; OXYGEN;

ENERGY GAP;

BORIC ACID; OXIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; LIGHT RELATED PHENOMENA; ULTRAVIOLET RADIATION; X RAY CRYSTALLOGRAPHY;

BORATES; CRYSTALLOGRAPHY, X-RAY; ELECTRONS; MODELS, MOLECULAR; OPTICAL PROCESSES; OXIDES; ULTRAVIOLET RAYS;

EID: 84863368911     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/24/14/145503     Document Type: Article

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