| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7757648 | Journal of Solid State Chemistry | 2018 | 30 Pages |
Abstract
Macroscopic polarization and optical properties were investigated using the Berry-phase calculation. Microscopic origin of optical response is investigated by variation of atomic charge, Born effective charges, and chemical bond analyses. Covalent bonds play an important role in determining optical response.211
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Qiaoqiao Zhang, Qun Jing, Haiming Duan, Haibin Cao,