First-principles study of crystal structure, electronic structure, and second-harmonic generation in a polar double perovskite Bi2ZnTiO6 | Zendy

Sheng Ju | Zendy; GuangYu Guo | Zendy

Open Access

First-principles study of crystal structure, electronic structure, and second-harmonic generation in a polar double perovskite Bi2ZnTiO6

Author(s) -

Sheng Ju,

GuangYu Guo

Publication year - 2008

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.3009623

Subject(s) - polar , second harmonic generation , density functional theory , crystal (programming language) , crystal structure , electronic structure , ab initio , materials science , ab initio quantum chemistry methods , stacking , perovskite (structure) , type (biology) , molecular physics , crystallography , chemistry , condensed matter physics , atomic physics , computational chemistry , physics , optics , laser , molecule , ecology , organic chemistry , astronomy , computer science , biology , programming language

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