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
β¦ LIBER β¦
Ab initio determination of static, dynamic and dielectric properties of semiconductors
β Scribed by K. Kunc; Richard M. Martin
- Publisher
- Elsevier Science
- Year
- 1983
- Weight
- 524 KB
- Volume
- 117-118
- Category
- Article
- ISSN
- 0378-4363
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