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Ab initio vibrational and dielectric properties of chalcopyrite CuInS2

✍ Scribed by R. Eryiğit; C. Parlak; R. Eryiğit

Book ID
111620739
Publisher
Springer
Year
2003
Tongue
English
Weight
116 KB
Volume
33
Category
Article
ISSN
1434-6036

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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