Effects of linear and nonlinear piezoelectricity on the electronic properties of InAs/GaAs quantum dots

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Gabriel Bester,¹ Alex Zunger,¹ Xifan Wu,² and David Vanderbilt²
¹National Renewable Energy Laboratory, Golden, Colorado 80401, USA
²Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA

Received 2 May 2006; published 22 August 2006

Theexistence of enormous strain fields in self-assembled quantum dots hasled to the expectation of dramatic effects of piezoelectricity. However,only linear piezoelectric tensors were used in all previous calculations.We calculate the piezoelectric properties of self-assembled quantum dots usingthe linear and quadratic piezoelectric tensors derived from first-principles densityfunctional theory. We find that the previously ignored quadratic termhas similar magnitude as the linear term and the twoterms tend to cancel each other. We show the effectof piezoelectricity on electron and hole energy levels and wavefunctions as well as on correlated absorption spectra.

URL:	http://link.aps.org/doi/10.1103/PhysRevB.74.081305
DOI:	10.1103/PhysRevB.74.081305
PACS:	78.67.Hc; 73.21.La; 73.22.-f; 71.15.-m 78.67.Hc Optical properties of quantum dots 73.21.La Quantum dots (electron states/collective excitations) 73.22.-f Electronic structure of nanoscale materials including clusters, nanoparticles, nanotubes, and nanocrystals 71.15.-m Methods of electronic structure calculations (condensed matter) YEAR: 2006
KEYWORDS:	indium compounds, gallium arsenide, III-V semiconductors, semiconductor quantum dots, piezoelectric semiconductors, self-assembly, ab initio calculations, density functional theory, wave functions

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