Bethe Ansatz Approach to the Kondo Effect within Density-Functional Theory

被引:71
作者
Bergfield, Justin P. [1 ,2 ]
Liu, Zhen-Fei [1 ,2 ]
Burke, Kieron [1 ,2 ]
Stafford, Charles A. [3 ]
机构
[1] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA
[2] Univ Calif Irvine, Dept Phys, Irvine, CA 92697 USA
[3] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA
关键词
ANDERSON MODEL; TRANSPORT; METALS; STATES;
D O I
10.1103/PhysRevLett.108.066801
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
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.
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收藏
页数:5
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