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Electronic structure and lattice dynamics in kesterite-type Cu_{2}ZnSnSe_{4} from first-principles calculations

✍ Scribed by Mortazavi Amiri, Narjes; Postnikov, Andrei


Book ID
111671285
Publisher
The American Physical Society
Year
2010
Tongue
English
Weight
780 KB
Volume
82
Category
Article
ISSN
1098-0121

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First principles calculations of lattice
✍ R.E. Cohen; W.E. Pickett; H. Krakauer; L.L. Boyer πŸ“‚ Article πŸ“… 1988 πŸ› Elsevier Science 🌐 English βš– 163 KB

Studies of the lattice dynamics of La2CuO 4 and YBa2Cu307 using both a non-empirical ionic model and the linearized augmented plane wave (LAPW) method show that ionic contributions are important in the high temperature oxide superconductors. Preliminary frozen phonon calculations with the LAPW metho