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Piezoelectricity in Monolayers and Bilayers of Inorganic Two-Dimensional Crystals

Published online by Cambridge University Press:  20 June 2013

Karel-Alexander N. Duerloo ,
Mitchell T. Ong  and
Evan J. Reed
Karel-Alexander N. Duerloo*
Affiliation:
Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305, U.S.A.
Mitchell T. Ong
Affiliation:
Condensed Matter and Materials Division, Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550, U.S.A.
Evan J. Reed
Affiliation:
Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305, U.S.A.
*
*To whom correspondence should be addressed: [email protected], Tel: [+1] (650) 723 4399, Fax: [+1] (650) 725 4034
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Abstract

The symmetry properties of many inorganic two-dimensional monolayer crystals make them piezoelectric, whereas their three-dimensional parent crystals are not. The emergence of piezoelectricity in the single-layer limit points toward intriguing electromechanical effects and applications in the single- or few-layer regime. We use density functional theory to calculate the piezoelectric coefficients of BN, MoS2, MoSe2, MoTe2, WS2, WSe2 and WTe2. These coefficients are found to be comparable to, and in some cases greater than those of commonly used wurtzite piezoelectrics. The centrosymmetry of a BN bilayer prevents a piezoelectric effect for this structure. However, by developing an elastic model, we find that the bilayer exhibits an unusual electromechanical coupling to the curvature, similar to that of a bimorph. A BN bilayer is found to amplify the constituent monolayers’ in-plane piezoelectric displacements by factors on the order of 103-104 into out-of plane deflections.

Keywords

piezoelectricsensoractuator
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1556: Symposium W – Piezoelectric Nanogenerators and Piezotronics , 2013 , mrss13-1556-w09-10
Copyright
Copyright © Materials Research Society 2013 

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References

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