First-principles study of electronic structures and nonlinear optical properties of AMoO3(IO3) (A = Li, Rb and Cs) crystals

Journal of Physics Condensed Matter

Volumn 22, Issue 15, 2010, Pages

  Hu, Chun Li ^a   Mao, Jiang Gao ^a  

^a FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ANIONIC GROUPS; ELECTRONIC TRANSITION; FIRST-PRINCIPLES STUDY; FREQUENCY DEPENDENT; GEOMETRIC STRUCTURE; HIGH RESPONSE; INDEPENDENT-PARTICLE APPROXIMATIONS; ION SIZE; ISOSTRUCTURAL; LONE PAIR ELECTRONS; NON-LINEAR OPTICAL PROPERTIES; PHOTON ENERGY RANGE; SECOND-ORDER NONLINEAR OPTICAL; SECOND-ORDER NONLINEAR OPTICAL PROPERTY; SHG COEFFICIENT; SHG PROPERTY; SPATIAL DECOMPOSITIONS;

CESIUM; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; NONLINEAR OPTICS; OPTICAL PROPERTIES;

CESIUM COMPOUNDS;

EID: 77950583660     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/22/15/155801     Document Type: Article

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