Ab initio calculations of the lattice dynamics of silver halides |
| |
| Authors: | A. B. Gordienko N. G. Kravchenko A. N. Sedelnikov |
| |
| Affiliation: | 1.Kemerovo State University,Kemerovo,Russia |
| |
| Abstract: | Based on ab initio pseudopotential calculations, the results of investigations of the lattice dynamics of silver halides AgHal (Hal = Cl, Br, I) are presented. Equilibrium lattice parameters, phonon spectra, frequency densities and effective atomic-charge values are obtained for all types of crystals under study. |
| |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
