Abstract

Nonlinear piezoelectricity has recently been detected in strained-layer superlattices where CdTe is pseudomorphically grown along (111) on different materials. We investigate this problem from first principles using density-functional theory. As a byproduct, we provide the ab initio calculation of several properties of this material, including the equilibrium lattice constant, Born effective charges, internal strain parameter, zone-center optical-phonon frequencies, dielectric constant, elastic constants, and the ``clamped-ions'' piezoelectric constant. Nonlinear effects on all of them are considered. Our major result is that piezoelectricity is accurately linear over a wide range of volume-conserving strains, while it displays strong nonlinearity whenever the strain is not volume conserving. This finding implies that the observed nonlinear effects can be accurately accounted for by the linear piezoelectric response of the cubic system at the strained volume.

Keywords

PiezoelectricityCondensed matter physicsDielectricLattice constantMaterials scienceNonlinear systemPhononSuperlatticeAb initioAb initio quantum chemistry methodsCadmium telluride photovoltaicsPhysicsQuantum mechanicsOptoelectronicsComposite materialDiffraction

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Publication Info

Year
1993
Type
article
Volume
47
Issue
24
Pages
16252-16256
Citations
50
Access
Closed

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Andrea Dal Corso, Raffaele Resta, Stefano Baroni (1993). Nonlinear piezoelectricity in CdTe. Physical review. B, Condensed matter , 47 (24) , 16252-16256. https://doi.org/10.1103/physrevb.47.16252

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DOI
10.1103/physrevb.47.16252