Charge transfer effects in KNbO3 and sodium
- 1 March 1994
- journal article
- research article
- Published by Taylor & Francis in Ferroelectrics
- Vol. 153 (1) , 7-12
- https://doi.org/10.1080/00150199408016534
Abstract
A new self-consistent atomic deformation model for calculating the electronic structure and total energy of condensed matter systems is described. Application of the model to KNbO3 suggests a fundamental relation between non-spherical oxygen ion deformations and charge transfer from oxygen to niobium. Application to sodium illustrates the idea of bonding enhancement in metals due to charge transfer.Keywords
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