Open AccessFirst-principles study of electronic transport properties of C20F20 molecule
Author(s) -
Yu An,
ChuanLu Yang,
Meishan Wang,
XiaoGuang Ma,
Dehua Wang
Publication year - 2010
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.59.2010
Subject(s) - conductance , molecule , density functional theory , materials science , biasing , function (biology) , condensed matter physics , voltage , physics , quantum mechanics , evolutionary biology , biology
Using first-principles density functional theory and non-equilibrium Green’s function method, we investigated the electronic transport properties of C20F20 molecule. The calculation shows that the zero bias equilibrium conductance of C20F20 molecule is 0.385 G0. The I-V curve presents good linear characteristic. Under finite bias voltage the molecule displays stable conductance characteristic, and could be made as one steadying resistance molecular device.