Ab Initio Calculation of the Electric Properties of Al Atomic Chains under Finite Bias Voltages

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Copyright (c) 2002 The Japan Society of Applied Physics
, , Citation Shinnosuke Furuya et al 2002 Jpn. J. Appl. Phys. 41 L989 DOI 10.1143/JJAP.41.L989

1347-4065/41/9A/L989

Abstract

We have analyzed electric conduction through Al atomic chains between two jellium electrodes by ab initio calculations, focusing on their dependences on bias voltages and the number of atoms. We have found that the electric current increases more slowly at high bias voltages (Vbias>3 V) as the number of atoms increases, whereas the current is roughly independent of the number of atoms at low bias voltages. This result can be understood if we assume that resonant conduction through states spreading over the entire chain is destroyed in the cases of Al4 and Al5 at high bias voltages.

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10.1143/JJAP.41.L989