First-principles insight on elastic, electronic, and thermoelectric transport properties of BAgX (X = Ti, Zr, Hf)
The geometrical structures of BAgX (X = Ti, Zr, Hf) are relaxed and their dynamical stability is confirmed by phonon dispersion curves, based on the first-principles density functional theory. Band energy structures, effective masses, relaxation time and carrier mobility of these structures are also...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2019-12-01
|
| Series: | Results in Physics |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379719308125 |