Electron transport through correlated molecules computed using the time-independent Wigner function:: Two critical tests

被引:13
作者
Baldea, Ioan [1 ,2 ]
Koeppel, Horst [1 ]
机构
[1] Heidelberg Univ, Theoret Chem Phys Chem Inst, D-69120 Heidelberg, Germany
[2] ISS, Natl Inst Lasers Plasma & Radiat Phys, RO-077125 Bucharest, Romania
来源
PHYSICAL REVIEW B | 2008年 / 78卷 / 11期
关键词
D O I
10.1103/PhysRevB.78.115315
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We have implemented the linear response approximation of a method proposed to compute the electron transport through correlated molecules based on the time-independent Wigner function [P. Delaney and J. C. Greer, Phys. Rev. Lett. 93, 036805 (2004)]. The results thus obtained for the zero- bias conductance through a quantum dot both without and with correlations demonstrate that this method is neither quantitatively nor qualitatively able to provide a correct physical description of the electric transport through nanosystems. We present an analysis indicating that the failure is due to the manner of imposing the boundary conditions and that it cannot be simply remedied.
引用
收藏
页数:9
相关论文
共 61 条
[1]   Adaptive time-dependent density-matrix renormalization-group technique for calculating the conductance of strongly correlated nanostructures [J].
Al-Hassanieh, K. A. ;
Feiguin, A. E. ;
Riera, J. A. ;
Busser, C. A. ;
Dagotto, E. .
PHYSICAL REVIEW B, 2006, 73 (19)
[2]   Many-body scattering formalism of quantum molecular conductance [J].
Baer, R ;
Neuhauser, D .
CHEMICAL PHYSICS LETTERS, 2003, 374 (5-6) :459-463
[3]   Orbital picture of ionization and its breakdown in nanoarrays of quantum dots -: art. no. 133003 [J].
Bâldea, I ;
Cederbaum, LS .
PHYSICAL REVIEW LETTERS, 2002, 89 (13)
[4]   Finite-size effects and quantum phonon fluctuations in the optical absorption edge of dimerized chains [J].
Baldea, I ;
Koppel, H ;
Cederbaum, LS .
PHYSICAL REVIEW B, 1997, 55 (03) :1481-1485
[5]   Hidden quasisymmetry in the optical absorption of quantum dot nanorings [J].
Baldea, Ioan ;
Cederbaum, Lorenz S. .
PHYSICAL REVIEW B, 2007, 75 (12)
[6]   Unusual scarcity in the optical absorption of metallic quantum-dot nanorings described by the extended Hubbard model [J].
Baldea, Ioan ;
Cederbaum, Lorenz S. .
PHYSICAL REVIEW B, 2008, 77 (16)
[7]   Effects of size dispersion disorder on the charge transport in self-assembled 2-D Ag nanoparticle arrays [J].
Beverly, KC ;
Sampaio, JF ;
Heath, JR .
JOURNAL OF PHYSICAL CHEMISTRY B, 2002, 106 (09) :2131-2135
[8]   Density-functional method for nonequilibrium electron transport -: art. no. 165401 [J].
Brandbyge, M ;
Mozos, JL ;
Ordejón, P ;
Taylor, J ;
Stokbro, K .
PHYSICAL REVIEW B, 2002, 65 (16) :1654011-16540117
[9]   Numerical renormalization group method for quantum impurity systems [J].
Bulla, Ralf ;
Costi, Theo A. ;
Pruschke, Thomas .
REVIEWS OF MODERN PHYSICS, 2008, 80 (02) :395-450
[10]  
BULLET D, 1980, SOLID STATE PHYS