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First principles calculations of lattice relaxation at low index surfaces of Cu

โœ Scribed by Th. Rodach; K.-P. Bohnen; K.M. Ho


Publisher
Elsevier Science
Year
1993
Weight
60 KB
Volume
286
Category
Article
ISSN
0167-2584

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First principles calculations of lattice
โœ R.E. Cohen; W.E. Pickett; H. Krakauer; L.L. Boyer ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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