Ai. Liechtenstein et al., THEORETICAL SEARCH FOR BISTABILITY OF APICAL OXYGEN IN YBA2CU3O7, Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 70(3), 1994, pp. 643-646
We report frozen-phonon local-density calculations for YBa2Cu3O7 of th
e infrared- and Raman-active apical-oxygen phonons in the c-direction.
No sign of the suggested bistability or anharmonicity is found.