| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1536292 | Optics Communications | 2013 | 7 Pages |
Abstract
The linear and nonlinear optical properties of MnHg(SCN)4 (MMTC) single crystal are studied by the Density Functional Theory (DFT) method. The optimized lattice constant can be compared with the experimental value. The DFT method is used to calculate the hyperpolarizability of MMTC single crystal and the second harmonic generation coefficient is studied by the ionic group theory. The obtained second harmonic generation coefficient is d15=17.14-25.91Â pm/V, which is in agreement with the experimental result (19.8-28.8Â pm/V). It is found that the greatest contribution for the second harmonic generation of MMTC crystal is from HgS4 anionic group.
Related Topics
Physical Sciences and Engineering
Materials Science
Electronic, Optical and Magnetic Materials
Authors
Peng Zhang, Chao Feng, Yuqiu Jiao, Guanggang Zhou, Lili Dong, Xinqiang Wang, Guiwu Lu,