Half-Heusler Semiconductors as Piezoelectrics
Anindya RoyDepartment of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USAJoseph W. BennettDepartment of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USAKarin M. RabeDepartment of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USADavid VanderbiltDepartment of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA
2012en
ABI
Annotatsiya
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.
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