Bethe Ansatz Approach to the Kondo Effect within Density-Functional Theory
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Open Access
- 7 February 2012
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 108 (6) , 066801
Abstract
Transport through an Anderson junction (two macroscopic electrodes coupled to an Anderson impurity) is dominated by a Kondo peak in the spectral function at zero temperature. We show that the single-particle Kohn-Sham potential of density-functional theory reproduces the linear transport, despite the lack of a Kondo peak in its spectral function. Using Bethe ansatz techniques, we calculate this potential for all coupling strengths, including the crossover from mean-field behavior to charge quantization caused by the derivative discontinuity. A simple and accurate interpolation formula is also given.Keywords
Funding Information
- U.S. Department of Energy
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