First-principles investigation of the ferroelectric, piezoelectric and nonlinear optical properties of LiNbO3-type ZnTiO3
Abstract The newly synthesized LN-type ZnTiO3 (J. Am. Chem. Soc. 2014, 136, 2748) contains cations with the electronic configurations nd10 (Zn2+: 3d10) along with second-order Jahn-Teller (SOJT) nd0 (Ti4+: 3d0) cations. This is different from traditional ferroelectrics with the electric configuratio...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2019-11-01
|
| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-019-53986-6 |