Electronic structures and optical properties of Ca5(BO 3)3F: A systematical first-principles study

Journal of Physics Condensed Matter

Volumn 23, Issue 39, 2011, Pages

  Hu, Chun Li ^a   Xu, Xiang ^a   Sun, Chuan Fu ^a   Mao, Jiang Gao ^a  

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

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC TRANSITION; FIRST-PRINCIPLES STUDY; INDEPENDENT-PARTICLE APPROXIMATIONS; INTERBAND; LINEAR OPTICAL PROPERTIES; NLO PROPERTIES; SECOND ORDERS; SECOND-ORDER SUSCEPTIBILITY; SPATIAL DECOMPOSITIONS; TRANSITION MATRIX ELEMENTS;

CALCIUM; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; TENSORS;

BIREFRINGENCE;

EID: 80052937562     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/23/39/395501     Document Type: Article

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