Abstract
The pressure induced phase transition and related properties of calcium chalcogenides (CaX, X=S, Se, Te) have been investigated by using the three body potential (TBP) model, after modifying it including the van der Waals attraction and covalency effects. The modified TBP model has been found to reproduce well the experimentally observed phase transition (B1-B2) pressures and associated volume collapses in these chalcogenides. The present results on phase transitions associated volume collapses, and elastic constants have shown closer resemblance with the results obtained other from more sophisticated theoretical calculations.
| Original language | English |
|---|---|
| Pages (from-to) | 1297-1305 |
| Number of pages | 9 |
| Journal | Journal of Optoelectronics and Advanced Materials |
| Volume | 12 |
| Issue number | 6 |
| State | Published - 1 Jan 2010 |
| Externally published | Yes |
Keywords
- Calcium chalcogenides
- Elastic constants
- Phase transition
- Volume collapse
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Electrical and Electronic Engineering