中国物理B ›› 2016, Vol. 25 ›› Issue (7): 77304-077304.doi: 10.1088/1674-1056/25/7/077304

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇    下一篇

Spin resonance transport properties of a single Au atom in S-Au-S junction and Au-Au-Au junction

Fangyuan Wang(王方原), Guiqin Li(李桂琴)   

  1. Department of Physics, Tsinghua University, Beijing 100084, China
  • 收稿日期:2016-04-07 出版日期:2016-07-05 发布日期:2016-07-05
  • 通讯作者: Guiqin Li E-mail:ligqin@mail.tsinghua.edu.cn
  • 基金资助:
    Project supported by the National Basic Research Program of China (Grants No. 2011CB921602) and the National Natural Science Foundation of China (Grants No. 20121318158).

Spin resonance transport properties of a single Au atom in S-Au-S junction and Au-Au-Au junction

Fangyuan Wang(王方原), Guiqin Li(李桂琴)   

  1. Department of Physics, Tsinghua University, Beijing 100084, China
  • Received:2016-04-07 Online:2016-07-05 Published:2016-07-05
  • Contact: Guiqin Li E-mail:ligqin@mail.tsinghua.edu.cn
  • Supported by:
    Project supported by the National Basic Research Program of China (Grants No. 2011CB921602) and the National Natural Science Foundation of China (Grants No. 20121318158).

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摘要： The spin transport properties of S-Au-S junction and Au-Au-Au junction between Au nanowires are investigated with density functional theory and the non-equilibrium Green's function. We mainly focus on the spin resonance transport properties of the center Au atom. The breaking of chemical bonds between anchor atoms and center Au atom significantly influences their spin transmission characteristics. We find the 0.8 eV orbital energy shift between anchor S atoms and the center Au atom can well protect the spin state stored in the S-Au-S junction and efficiently extract its spin state to the current by spin resonance mechanism, while the spin interaction of itinerant electrons and the valence electron of the center Au atom in the Au-Au-Au junction can extract the current spin information into the center Au atom. Fermi energy drift and bias-dependent spin filtering properties of the Au-Au-Au junction may transform information between distance, bias, and electron spin. Those unique properties make them potential candidates for a logical nanocircuit.

关键词: density functional theory, nonequilibrium Green function, spin resonance tunnelling

Abstract: The spin transport properties of S-Au-S junction and Au-Au-Au junction between Au nanowires are investigated with density functional theory and the non-equilibrium Green's function. We mainly focus on the spin resonance transport properties of the center Au atom. The breaking of chemical bonds between anchor atoms and center Au atom significantly influences their spin transmission characteristics. We find the 0.8 eV orbital energy shift between anchor S atoms and the center Au atom can well protect the spin state stored in the S-Au-S junction and efficiently extract its spin state to the current by spin resonance mechanism, while the spin interaction of itinerant electrons and the valence electron of the center Au atom in the Au-Au-Au junction can extract the current spin information into the center Au atom. Fermi energy drift and bias-dependent spin filtering properties of the Au-Au-Au junction may transform information between distance, bias, and electron spin. Those unique properties make them potential candidates for a logical nanocircuit.

Key words: density functional theory, nonequilibrium Green function, spin resonance tunnelling

中图分类号:  (Electronic transport in mesoscopic systems)

  • 73.23.-b
85.65.+h (Molecular electronic devices) 85.75.Mm (Spin polarized resonant tunnel junctions)