Table 2.
Calculated dielectric properties of STO bulk and slab of 7 layers for −1.69% and −1.305% strains.
| Bulk | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| V/4π (bohr3) | α (bohr3) | ε(∞) | ε(0) | ε(0)/ε(∞) | |||||
| 31.74 | 24.49 | 4.4 | 166 | 37.3 | |||||
| Strained Slab of 7 layers | |||||||||
| Strain | V/4π (bohr3) | α//(bohr3) | α⊥ (bohr3) | ε(∞)// | ε(∞)⊥ | ε(0)// | ε(0)⊥ | ε(0)///ε(∞)// | |
| −1.69% | 27.96 | 21.92 | 23.5 | 4.63 | 6.3 | 4672 | 18.1 | 1009 | |
| −1.31% | 28.16 | 22.34 | 23.7 | 4.83 | 6.3 | 13267 | 18.1 | 2747 | |
The bulk calculated values ε(∞) = 4.4 and ε(0) = 166 can be compared to the experimental value of 5.6, on the one hand, and to the experimental value of 300 and to the LST based value of 280 from ref. 15, on the other hand.