First-Principles Study on Electron Conduction Property of Monatomic Sodium Nanowire

Yoshiyuki Egami; Takashi Sasaki; Shigeru Tsukamoto; Tomoya Ono; Kouji Inagaki; Kikuji Hirose

doi:10.2320/matertrans.45.1433

Yoshiyuki Egami, Takashi Sasaki, Shigeru Tsukamoto, Tomoya Ono, Kouji Inagaki, Kikuji Hirose

著者情報

キーワード: first-principles, sodium nanowire, quantized conductance, crystalline electrode, even-odd oscillation

ジャーナルフリー

2004 年 45 巻 5 号 p. 1433-1436

DOI https://doi.org/10.2320/matertrans.45.1433

詳細

抄録

We present first-principles calculations of electron conduction properties of monatomic sodium wires suspended between semi-infinite crystalline electrodes, using the overbridging boundary-matching method. We find that the conductances oscillate depending on the number of atoms in the wire, N_atom. Furthermore, the values of conductances are ∼3 G₀ (G₀ = 2e²/h) for the closed packed structure and ∼1 G₀ for single-row wires, which is in agreement with the experimental results of the conductance histogram.

責任著者(Corresponding author)

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