Literature DB >> 22181899

Towards a description of the Kondo effect using time-dependent density-functional theory.

G Stefanucci1, S Kurth.   

Abstract

We demonstrate that the zero-temperature conductance of the Anderson model can be calculated within the Landauer formalism combined with static density-functional theory. The proposed approximate functional is based on finite-temperature density-functional theory and yields the exact Kohn-Sham potential at the particle-hole symmetric point. Furthermore, in the limit of zero temperature it correctly exhibits a derivative discontinuity which is shown to be essential to reproduce the conductance plateau. On the other hand, at the Kondo temperature the exact Kohn-Sham conductance overestimates the real one by an order of magnitude. To understand the failure of density-functional theory, we resort to its time-dependent version and conclude that the suppression of the Kondo resonance must be attributed to dynamical exchange-correlation corrections.

Year:  2011        PMID: 22181899     DOI: 10.1103/PhysRevLett.107.216401

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  3 in total

1.  Three-dimensional dynamics of a fermionic Mott wedding-cake in clean and disordered optical lattices.

Authors:  A Kartsev; D Karlsson; A Privitera; C Verdozzi
Journal:  Sci Rep       Date:  2013       Impact factor: 4.379

2.  Exact exchange-correlation potential of an ionic Hubbard model with a free surface.

Authors:  V Brosco; Z-J Ying; J Lorenzana
Journal:  Sci Rep       Date:  2013       Impact factor: 4.379

Review 3.  Beyond the State of the Art: Novel Approaches for Thermal and Electrical Transport in Nanoscale Devices.

Authors:  Robert Biele; Roberto D'Agosta
Journal:  Entropy (Basel)       Date:  2019-08-02       Impact factor: 2.524

  3 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.