Bethe ansatz approach to the Kondo effect within density-functional theory

Justin P. Bergfield, Zhen Fei Liu, Kieron Burke, Charles A. Stafford

Research output: Contribution to journalArticlepeer-review

65 Scopus citations

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.

Original languageEnglish (US)
Article number066801
JournalPhysical review letters
Volume108
Issue number6
DOIs
StatePublished - Feb 7 2012

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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