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Phys. Rev. B 76, 125323 (2007) [6 pages]

Failure of standard approximations of the exchange coupling in nanostructures

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Jesper Pedersen1, Christian Flindt1, Niels Asger Mortensen1, and Antti-Pekka Jauho1,2
1MIC—Department of Micro and Nanotechnology, NanoDTU, Technical University of Denmark, Building 345E, DK-2800 Kongens Lyngby, Denmark
2Laboratory of Physics, Helsinki University of Technology, P.O. Box 1100, FI-02015 HUT, Finland

Received 30 May 2007; revised 23 July 2007; published 28 September 2007

We calculate the exchange coupling for a double dot system using a numerically exact technique based on finite-element methods and an expansion in two-dimensional Gaussians. Specifically, we evaluate the exchange coupling both for a quasi-one- and a two-dimensional system, also including an applied magnetic field. Our numerical results provide a stringent test of standard approximation schemes (e.g., Heitler-London, Hund-Mulliken, Hubbard), and they show that the standard methods do not have reliable predictive power even for simple model systems. Their value in modeling more realistic quantum-dot structures is thus cast in serious doubt.

© 2007 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.76.125323
DOI:
10.1103/PhysRevB.76.125323
PACS:
73.21.La, 75.30.Et, 02.70.Dh