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Ab initio pressure-dependent vibrational and dielectric properties of

✍ Scribed by Gürel, Tanju; Eryiğit, Resul

Book ID
121873886
Publisher
The American Physical Society
Year
2006
Tongue
English
Weight
98 KB
Volume
74
Category
Article
ISSN
1098-0121

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Ab initio vibrational and dielectric pro
Ab initio vibrational and dielectric properties of
✍ R. Vali 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 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