| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1504032 | Solid State Sciences | 2016 | 6 Pages |
•Three-dimensional character and strong vibrational coupling have been revealed.•Calculated logarithmically averaged frequency, Debye temperature and electron-phonon coupling constant agree well with experimental values.•Superconductivity of PdTe originate from phonon-mediated attraction.•The transition temperature of PdTe decreases with increasing of pressure.
The phonon spectra and electron-phonon interaction properties of hexagonal superconductor PdTe are studied systematically for the first time by density functional perturbation theory (DFPT). We present phonon dispersion with non-negative frequency in the whole Brillouin zone and reveal its three-dimensional character and strong vibrational coupling from both electronic and lattice dynamic viewpoint. First-principles calculation of logarithmically averaged frequency, Debye temperature, electron-phonon coupling constant and transition temperature Tc agree well with experimental values. It is definitely believed superconductivity of PdTe originates from isotropical nonlocal electron-phonon interaction. Moreover, Unlike FeTe, the transition temperature of PdTe decreases with increasing of pressure.
Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slide
