First principles calculations for ferroelectrics — a vision
- 1 November 1990
- journal article
- research article
- Published by Taylor & Francis in Ferroelectrics
- Vol. 111 (1) , 1-7
- https://doi.org/10.1080/00150199008217593
Abstract
The potential for using first principles calculations for ferroelectrics is delineated. Significant insights into the microscopic origins of ferroelectricity are expected. In terms of practical matters, this theoretical approach provides a means to explore new ferroelectric material systems using computations alone.Keywords
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