| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1626314 | Journal of Alloys and Compounds | 2007 | 6 Pages |
Abstract
Ab initio calculations, based on density functional theory and norm-conserving pseudopotentials, have been performed to investigate the some structural, elastic, electronic, and lattice-dynamical properties of pure CdF2. The calculated lattice parameter, phonon dispersion, and band structure are in accordance with the available experimental and other theoretical results. The pressure-dependent behaviours of elastic constants and band-structural properties of CdF2 are also reported.
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
E. Deligoz, K. Colakoglu, Y.O. Ciftci,