Journal
PHYSICAL REVIEW LETTERS
Volume 109, Issue 16, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.109.167602
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Funding
- ONR [N00014-09-1-0302, N00014-05-1-0054]
- Aspen Center for Physics (NSF) [1066293]
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We use a first-principles rational-design approach to identify a previously unrecognized class of ferroelectric materials in the P6(3)mc LiGaGe structure type. We calculate structural parameters, polarization, and ferroelectric well depths both for reported and as-yet hypothetical representatives of this class. Our results provide guidance for the experimental realization and further investigation of high-performance materials suitable for practical applications.
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