First-principles theory of correlated transport through nanojunctions

被引:68
作者
Ferretti, A [1 ]
Calzolari, A
Di Felice, R
Manghi, F
Caldas, MJ
Nardelli, MB
Molinari, E
机构
[1] INFM, Natl Ctr NanoStruct & BioSyst Surfaces, I-41100 Modena, Italy
[2] Univ Modena, Dipartimento Fis, I-41100 Modena, Italy
[3] Univ Sao Paulo, Inst Fis, BR-05508900 Sao Paulo, Brazil
[4] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA
[5] Oak Ridge Natl Lab, CCS, CSM, Oak Ridge, TN 37831 USA
关键词
D O I
10.1103/PhysRevLett.94.116802
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We report the inclusion of electron-electron correlation in the calculation of transport properties within an ab initio scheme. A key step is the reformulation of Landauer's approach in terms of an effective transmittance for the interacting electron system. We apply this framework to analyze the effect of shortrange interactions on Pt atomic wires and discuss the coherent and incoherent correction to the mean-field approach.
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页数:4
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