Structural, electronic and elastic properties of the cubic CaTiO3 under pressure: A DFT study
Using highly accurate FP-LAPW method with GGA approximation structural, electronic and elastic properties of cubic CaTiO3 have been calculated from 0-120 GPa range of pressure. It is observed that lattice constant, bond length and anisotropy factor decrease with increase in pressure. Also the brittl...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2015-07-01
|
| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4926437 |