Kondo effect given exactly by density functional theory

2011/06/15 by Justin P. Bergfield, Zhenfei Liu, Bergfield, Justin P. +6
Physics and Astronomy · #Advanced Chemical Physics Studies #FOS: Physical sciences #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Other Condensed Matter (cond-mat.other) #Quantum and electron transport phenomena #Surface and Thin Film Phenomena #cond-mat.mes-hall #cond-mat.other

paper · pdf · doi:10.48550/arxiv.1106.3104

5 pages, 4 figures

openalex publication_date 2011/06/15 · arxiv created 2011/08/03 · arxiv updated 2011/08/04 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

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. The exact single-particle Kohn-Sham potential of density functional theory reproduces the linear transport exactly, despite the lack of a Kondo peak in its spectral function. Using Bethe ansatz techniques, we calculate this potential exactly for all coupling strengths, including the cross-over from mean-field behavior to charge quantization caused by the derivative discontinuity. A simple and accurate interpolation formula is also given.

Citations

• DFT-based transport calculations, Friedel's sum rule and the Kondo effect
• Many-electron singularity in X-ray photoemission and X-ray line spectra from metals
• Scaling Theory of the Asymmetric Anderson Model

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