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First Principles Calculation of Universal Conductance Fluctuation in Monatomic Metal Chains

Chen Jing-Zhe et al 2008 Chinese Phys. Lett. 25 1060-1063   doi: 10.1088/0256-307X/25/3/069  Help

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Chen Jing-Zhe1, Zhang Jin1 and Han Ru-Shan1
1 School of Physics, Peking University, Beijing 100871
E-mail: chenjingzhe@pku.edu.cn (Chen Jing-Zhe) and jingzhe.chen@gmail.com (Chen Jing-Zhe)

Abstract. Combining the non-equilibrium Green's function method and density functional theory, we provide a first-principle scheme to calculate the universal conductance fluctuation (UCF) in quasi one-dimensional monatomic chains subject to a magnetic field. Our results show that for these monatomic chains, the amplitude of the UCF is much smaller than the previous theoretical prediction for mesoscopic conductors by Lee et al. [Phys. Rev. Lett. 55 (1985) 1622; Phys. Rev. B 35 (1987) 1039] The reason is that the ergodic hypothesis fails in these nanowires due to the confinement of geometry. We ascribe the phenomenon to the flux-dependent density of states fluctuation.

PACS numbers: 71.15.-m, 31.15.-p

Print publication: Issue 3 (March 2008)
Received 7 October 2007

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