First principles calculations of lattice
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R.E. Cohen; W.E. Pickett; H. Krakauer; L.L. Boyer
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Article
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1988
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Elsevier Science
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English
β 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