| 1 | Author | P. Blaha, K. Schwarz, P. Dufek, G. Vielsack, W. Weber | Requires cookie* |
| Title | The Breathing Mode of B a B i0 3: Electric Field Gradient and Total Energy Calculations  | ||
| Abstract | We present ab initio full-potential linearized augmented plane wave (LAPW) band structure calculations for BaBiOa. We focus on total energies and electric field gradients at the oxygen site and present results for the breathing mode in the experimentally observed cubic and monoclinic struc tures of doped and undoped Baj _JC K xB i0 3. | ||
| Reference | Z. Naturforsch. 49a, 129—132 (1994); received | ||
| Published | 1994 | ||
| Keywords | B aB i03, Total energy, Electric field gradient, Energy band structure, Breathing mode | ||
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