𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio studies on the vibrational and thermal properties of

✍ Scribed by Li, Zhiqiang; Tse, John S.


Book ID
121697549
Publisher
The American Physical Society
Year
2000
Tongue
English
Weight
133 KB
Volume
61
Category
Article
ISSN
1098-0121

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πŸ“œ SIMILAR VOLUMES


Ab initio vibrational and dielectric pro
✍ R. Vali πŸ“‚ Article πŸ“… 2009 πŸ› Elsevier Science 🌐 English βš– 872 KB

For the yttrium orthovanadate YVO 4 with a tetragonal zircon-type structure, the first complete set of Raman-active and IR-active phonon modes has been calculated using ab initio density functional perturbation theory. The calculated IR reflectivity spectra are in good agreement with available exper