Theoretical search for bistability of apical oxygen in YBa2Cu3O7.

Liechtenstein A.I., Mazin I.I., Anderson O.K., Jepsen O.

We report frozen-phonon local-density calculations for YBa2Cu3O7 of the infrared- and Raman-active apical-oxygen phonons in the c-direction. No sign of the suggested bistability or anharmonicity is found.

Philosophical Magazine B, 70 643-6, 1994.

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