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First principles cluster calculation of X-ray absorption spectra of La2CuO4

✍ Scribed by Mikio Eto


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
142 KB
Volume
194-196
Category
Article
ISSN
0921-4526

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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