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Ab-initio vibrational properties of SiGe alloys

✍ Scribed by V.J.B. Torres; J. Coutinho; P.R. Briddon; M. Barroso

Book ID
108290171
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
159 KB
Volume
517
Category
Article
ISSN
0040-6090

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✍ 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