The lone-pairs enhanced birefringence and SHG response: A DFT investigation on M2B5O9Cl (M = Sr, Ba, and Pb)

Chemical Physics

Volumn 453-454, Issue , 2015, Pages 42-46

  Jing, Qun ^a,b,c   Dong, Xiaoyu ^a,d   Chen, Xinglong ^a,b   Yang, Zhihua ^a   Pan, Shilie ^a   Lei, Chen ^a,b  

^a XINJIANG TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^c SHIHEZI UNIVERSITY   (China)

^d Xinjiang Institute of Engineering   (China)

Author keywords

Birefringence and SHG response; DFT methods; Lone pairs electrons

Indexed keywords

EID: 84927725664     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2015.04.001     Document Type: Article

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