Back to Search Start Over

Kondo effect given exactly by density functional theory

Authors :
Bergfield, Justin P.
Liu, Zhenfei
Burke, Kieron
Stafford, Charles A.
Publication Year :
2011

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.<br />Comment: 5 pages, 4 figures

Details

Database :
arXiv
Publication Type :
Report
Accession number :
edsarx.1106.3104
Document Type :
Working Paper