Open AccessFirst-principles calculation of the transport properties of silicon-carbon （Si-C） and alumium-nitrogen （Al-N） nanowires
Author(s) -
Xiaochun Chen,
Jun Yang,
Zhou Yan-Hong,
Ying Xu
Publication year - 2009
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.58.3064
Subject(s) - materials science , nanowire , silicon , conductance , non equilibrium thermodynamics , nitrogen , nano , carbon fibers , electrode , condensed matter physics , nanotechnology , optoelectronics , thermodynamics , composite material , chemistry , physics , organic chemistry , composite number
We investigate the transport properties of oue dimensional silicon-carbon SiCn and alumium- nitrogen Al-Nn nano-wires coupled to two Al100 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 AlN5 nano-wires.