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Ab initio vibrational and dielectric properties of chalcopyrite CdGeAs2

✍ Scribed by You Yu; Beijun Zhao; Shifu Zhu; Tao Gao; Haijun Hou

Book ID
113914128
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
230 KB
Volume
13
Category
Article
ISSN
1293-2558

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Ab initio vibrational and dielectric pro
Ab initio vibrational and dielectric properties of
✍ 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