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First-principles calculation of the transport properties of silicon-carbon (Si-C) and alumium-nitrogen (Al-N) nanowires

Zhou Yan-Hong Chen Xiao-Chun Yang Jun Xu Ying

First-principles calculation of the transport properties of silicon-carbon (Si-C) and alumium-nitrogen (Al-N) nanowires

Zhou Yan-Hong, Chen Xiao-Chun, Yang Jun, Xu Ying
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  • Received Date:  21 March 2008
  • Accepted Date:  15 May 2008
  • Published Online:  20 May 2009

First-principles calculation of the transport properties of silicon-carbon (Si-C) and alumium-nitrogen (Al-N) nanowires

  • 1. (1)赣南医学院信息工程学院,赣州 341000; (2)江西蓝天学院公教部数理教研室,南昌 330098; (3)江西蓝天学院京东校区机电工程系,南昌 330029; (4)江西师范大学物理与通信电子学院,南昌 330022

Abstract: We investigate the transport properties of oue dimensional silicon-carbon [(SiC)n] and alumium- nitrogen [(Al-N)n] nano-wires coupled to two Al(100) electrodes based on a recently developed ab-initio nonequilibrium Green function formalism.The equilibrium conductance of silicon-carbon and alumium-nitrogen nano-wires decrease with the length of wires. The charge transfer of silicon-carbon increases monotonically with the the length of wires. On the contrary, the charge transfer of alumium-nitrogen nano-wire decreases monotonically with the increasing length of wires. The charge transfer changes almost linearly with increasing gate-voltage for both nano-wires and the variation of the equilibrium conductance is different for the wires. With the increase of the gate-voltage, both nano-wires might be good candidates for molecular switch, especially the (AlN)5 nano-wires.

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