Journal
PHASE TRANSITIONS
Volume 80, Issue 4-5, Pages 385-413Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/01411590701228117
Keywords
ferroelectric materials; ferroelectricity; phonos; soft models
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Advances in first-principles computational approaches have, over the past fifteen years, made possible the investigation of physical properties of ferroelectric systems. In particular, such approaches have led to a microscopic understanding of the occurrence of ferroelectricity in perovskite oxides at ambient pressure. In this article, we report ab initio studies on the effect of hydrostatic pressure on the ferroelectricity in perovskites and related materials. We found that, unlike common belief, these materials exhibit ferroelectricity at high enough pressure. We also explain, in detail the ( unusual) nature of this ferroelectricity.
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