Half-Heusler Semiconductors as Piezoelectrics
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Roy, Anindya, Joseph W. Bennett, Karin M. Rabe, and David Vanderbilt. “Half-Heusler Semiconductors as Piezoelectrics.” Physical Review Letters 109, no. 3 (2012): 037602. https://doi.org/10.1103/PhysRevLett.109.037602.
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Copyright 2012 American Physical Society
Abstract
We use a first-principles rational-design approach to demonstrate the potential of semiconducting half-Heusler compounds as a previously unrecognized class of piezoelectric materials. We perform a high-throughput scan of a large number of compounds, testing for insulating character and calculating structural, dielectric, and piezoelectric properties. Our results provide guidance for the experimental realization and characterization of high-performance materials in this class that may be suitable for practical applications.