Hexagonal ABC semiconductors as ferroelectrics.

نویسندگان

  • Joseph W Bennett
  • Kevin F Garrity
  • Karin M Rabe
  • David Vanderbilt
چکیده

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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عنوان ژورنال:
  • Physical review letters

دوره 109 16  شماره 

صفحات  -

تاریخ انتشار 2012