Abstract
We present an implementation of a new method for explicit simulations of time-dependent electric currents through nanojunctions. The method is based on unitary propagation of stroboscopic wave packet states and is designed to treat open systems with fluctuating number of electrons while preserving full quantum coherence throughout the whole infinite system. We demonstrate the performance of the method on a model system consisting of a ring-shaped nanojunction with two semi-infinite tight-binding leads. Time-dependent electron current responses to abrupt bias turn-on or gate potential switching are computed for several ring configurations and ring-leads coupling parameters. The found current-carrying stationary states agree well with the predictions of the Landauer formula. As examples of genuinely time-dependent process we explore the presence of circulating currents in the rings in transient regimes and the effect of a time-dependent gate potential.
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References
H. Haug, A.-P. Jauho, Quantum Kinetics in Transport and Optics of Semiconductors (Springer-Verlag, Berlin, 1998)
H. Ness, L.K. Dash, Phys. Rev. B 84, 235428 (2011)
M. Cini, Phys. Rev. B 22, 5887 (1980)
G. Stefanucci, C.O. Almbladh, Phys. Rev. B 69, 195318 (2004)
S. Kurth, G. Stefanucci, C.O. Almbladh, A. Rubio, E.K.U. Gross, Phys. Rev. B 72, 035308 (2005) and the references therein
P. Myhnen, A. Stan, G. Stefanucci, R. van Leeuwen, Phys. Rev. B 80, 115107 (2009)
B. Wang, Y. Xing, L. Zhang, J. Wang, Phys. Rev. B 81, 121103 (2010)
Y. Wang, C.Y. Yam, G.H. Chen, Th. Frauenheim, T.A. Niehaus, Chem. Phys. 391, 69 (2011)
X. Zheng, F. Wang, C.Y. Yam, Y. Mo, G. Chen, Phys. Rev. B 75, 195127 (2007)
H. Xie, F. Jiang, H. Tian, X. Zheng, Y. Kwok, S. Chen, C. Yam, G. Chen, J. Chem. Phys. 137, 044113 (2012)
K. Torfason, A. Manolescu, V. Molodoveanu, V. Gudmundsson, J. Phys.: Conf. Ser. 338, 012017 (2012)
P. Hyldgaard, J. Phys.: Condens. Matter 24, 424219 (2012)
A.P. Horsfield, D.R. Bowler, A.J. Fisher, J. Phys.: Condens. Matter 16, L65 (2004)
E.J. McEniry, D.R. Bowler, D. Dundas, A.P. Horsfield, C.G. Sánchez, T.N. Todorov, J. Phys.: Condens. Matter 19, 196201 (2007)
E.J. McEniry, Y. Wang, D. Dundas, T.N. Todorov, L. Stella, R.P. Miranda, A.J. Fisher, A.P. Horsfield, C.P. Race, D.R. Mason, W.M.C. Foulkes, A.P. Sutton, Eur. Phys. J. B 77, 305 (2010)
P. Bokes, F. Corsetti, R.W. Godby, Phys. Rev. Lett. 101, 046402 (2008)
P. Bokes, Phys. Chem. Chem. Phys. 11, 4579 (2009)
J. Yi, G. Cuniberti, M. Porto, Eur. Phys. J. B 33, 221 (2003)
F. Goyer, M. Ernzerhof, M. Zhuang, J. Chem. Phys. 126, 144104 (2007)
B.T. Pickup, P.W. Fowler, Chem. Phys. Lett. 459, 198 (2008)
G. Stefanucci, E. Perfetto, S. Bellucci, M. Cini, Phys. Rev. B 79, 073406 (2009)
J.-B. Xia, Phys. Rev. B 45, 3593 (1992)
R.E. Sparks, V.M. García-Suárez, D.Z. Manrique, C.J. Lambert, Phys. Rev. B 83, 075437 (2011)
K.K. Saha, B.K. Nikolić, V. Meunier, W. Lu, J. Bernholc, Phys. Rev. Lett. 105, 236803 (2010)
K.K. Saha, W. Lu, J. Bernholc, V. Meunier, J. Chem. Phys. 131, 164105 (2009)
M. Kiguchi, O. Tal, S. Wohlthat, F. Pauly, M. Krieger, D. Djukic, J.C. Cuevas, J.M. van Ruitenbeek, Phys. Rev. Lett. 101, 046801 (2008)
M. Kiguchi, S. Nakashima, T. Tada, S. Watanabe, S. Tsuda, Y. Tsuji, J. Terao, Small 8, 726 (2012)
M. Bai, J. Liang, L. Xie, S. Sanvito, B. Mao, S. Hou, J. Chem. Phys. 136, 104701 (2012)
W. Hong, H. Li, S.-X. Liu, Y. Fu, J. Li, V. Kaliginedi, S. Decurtins, T. Wandlowski, J. Am. Chem. Soc. 134, 19425 (2012)
X. Li, X. Wang, L. Zhang, S. Lee, H. Dai, Science 319, 1229 (2008)
X. Wang, Y. Ouyang, X. Li, H. Wang, J. Guo, H. Dai, Phys. Rev. Lett. 100, 206803 (2008)
M.A. Reed, C. Zhou, C.J. Muller, T.P. Burgin, J.M. Tour, Science 278, 252 (1997)
B. Hackens, F. Martins, T. Ouisse, H. Sellier, S. Bollaert, X. Wallart, A. Cappy, J. Chevrier, V. Bayot, S. Huant, Nat. Phys. 2, 826 (2006)
F. Martins, B. Hackens, M.G. Pala, T. Ouisse, H. Sellier, X. Wallart, S. Bollaert, A. Cappy, J. Chevrier, V. Bayot, S. Huant, Phys. Rev. Lett. 99, 136807 (2007)
W. Lei, C. Notthoff, A. Lorke, D. Reuter, A.D. Wieck, Appl. Phys. Lett. 96, 033111 (2010)
D.M. Cardamone, C.A. Stafford, S. Mazumdar, Nano Lett. 6, 2422 (2006)
P. Stefański, J. Phys.: Condens. Matter 22, 505303 (2010)
W.H. Press, S.A. Teukolsky, W.T. Vetterling, B.P. Flannery, Numerical recipes in C, 2nd edn. (Cambridge University Press, Cambridge, 1994)
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Konôpka, M., Bokes, P. Stroboscopic wave packet description of time-dependent currents through ring-shaped nanostructures. Eur. Phys. J. B 86, 114 (2013). https://doi.org/10.1140/epjb/e2013-30770-7
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DOI: https://doi.org/10.1140/epjb/e2013-30770-7