TY - JOUR
T1 - Bethe ansatz approach to the Kondo effect within density-functional theory
AU - Bergfield, Justin P.
AU - Liu, Zhen Fei
AU - Burke, Kieron
AU - Stafford, Charles A.
PY - 2012/2/7
Y1 - 2012/2/7
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84863011761&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84863011761&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.108.066801
DO - 10.1103/PhysRevLett.108.066801
M3 - Article
C2 - 22401100
AN - SCOPUS:84863011761
SN - 0031-9007
VL - 108
JO - Physical review letters
JF - Physical review letters
IS - 6
M1 - 066801
ER -