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Quantum Chemistry
Reliability of the Heitler-London approach for the exchange coupling between electrons in semiconductor nanostructures
arXiv
Authors: A. L. Saraiva, M. J. Calderon, Belita Koiller
Year
2007
Paper ID
49881
Status
Preprint
Abstract Read
~2 min
Abstract Words
106
Citations
N/A
Abstract
We calculate the exchange coupling J between electrons in a double-well potential in a two-dimensional semiconductor environment within the Heitler-London (HL) approach. Two functional forms are considered for the double-well potential. We show that by choosing an appropriate and relatively simple single-electron variational wave function it is possible, within the HL approach, to significantly improve the estimates for J. In all cases the present scheme overcomes the artifacts and limitations at short interdot distances, previously attributed to the HL method, where unphysical triplet ground states have been found, and leads to an overall agreement with analytic interpolated expressions for J obtained for a donor-type model potential.
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- This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
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- We calculate the exchange coupling J between electrons in a double-well potential in a two-dimensional semiconductor environment within the Heitler-London (HL) approach.
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