CHEMICAL BONDING AND BI ATOM ANHARMONICITY IN BA0.87K0.13BIO3 CRYSTAL

Authors
ABRAMOV YA REZNIK IM TSIRELSON VG OKAMURA FP
Citation
Ya. Abramov et al., CHEMICAL BONDING AND BI ATOM ANHARMONICITY IN BA0.87K0.13BIO3 CRYSTAL, Physica. C, Superconductivity, 254(1-2), 1995, pp. 189-192
Citations number
17
Categorie Soggetti
Physics, Applied
Journal title
Physica. C, Superconductivity → ACNP
ISSN journal
09214534
Volume
254
Issue
1-2
Year of publication
1995
Pages
189 - 192
Database
ISI
SICI code
0921-4534(1995)254:1-2<189:CBABAA>2.0.ZU;2-C
Abstract
The electron density distribution and Bi atom displacements in Ba0.87K 0.13BiO3 perovskite single crystal are studied using both X-ray diffra ction data and modified statistical method calculations. A noticeable covalent component in the Bi bond with neighboring oxygens is revealed . The nature of the Bi atom anharmonic displacements reflect either dy namic or static instability in its ideal crystallographic position. Th e results obtained indirectly support the interpretation of the nature of incommensurate modulation in Ba1-xKxBiO3 crystals under electron i rradiation.