Correct Implementation of Polarization Constants in Wurtzite Materials and Impact on III-Nitrides

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Author(s)Dreyer, Cyrus E.
Author(s)Janotti, Anderson
Author(s)Van de Walle, Chris G.
Author(s)Vanderbilt, David
Ordered AuthorCyrus E. Dreyer, Anderson Janotti, Chris G. Van de Walle, and David Vanderbilt
UD AuthorJanotti, Andersonen_US
Date Accessioned2016-06-23T13:33:35Z
Date Available2016-06-23T13:33:35Z
Publication Date2016-06-20
DescriptionPublisher's PDFen_US
AbstractAccurate values for polarization discontinuities between pyroelectric materials are critical for understanding and designing the electronic properties of heterostructures. For wurtzite materials, the zincblende structure has been used in the literature as a reference to determine the effective spontaneous polarization constants. We show that, because the zincblende structure has a nonzero formal polarization, this method results in a spurious contribution to the spontaneous polarization differences between materials. In addition, we address the correct choice of “improper” versus “proper” piezoelectric constants. For the technologically important III-nitride materials GaN, AlN, and InN, we determine polarization discontinuities using a consistent reference based on the layered hexagonal structure and the correct choice of piezoelectric constants, and discuss the results in light of available experimental data.en_US
DepartmentUniversity of Delaware. Department of Materials Science and Engineering.en_US
CitationDreyer, Cyrus E., et al. "Correct implementation of polarization constants in wurtzite materials and impact on III-nitrides." arXiv preprint arXiv:1605.07629 (2016).en_US
DOI10.1103/PhysRevX.6.021038en_US
ISSN2160-3308en_US
URLhttp://udspace.udel.edu/handle/19716/17818
Languageen_USen_US
PublisherAmerican Physical Societyen_US
dc.rightsCC BY 3.0en_US
dc.sourcePhysical Review Xen_US
dc.source.urihttps://journals.aps.org/prx/en_US
TitleCorrect Implementation of Polarization Constants in Wurtzite Materials and Impact on III-Nitridesen_US
TypeArticleen_US
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