Reduced backscattering in potassium-doped nanotubes:: Ab initio and semiempirical simulations

被引：68
作者：
Adessi, C
Roche, S
Blase, X
机构：
[1] LPMCN, CNRS, F-69622 Villeurbanne, France
[2] Univ Lyon 1, UMR 5586, F-69622 Villeurbanne, France
[3] CEA, DSM, DRFMC, SPSMS,GT, F-38054 Grenoble, France
[4] CEA, DRT, F-38054 Grenoble, France
来源：
PHYSICAL REVIEW B | 2006年 / 73卷 / 12期
关键词：
D O I：
10.1103/PhysRevB.73.125414
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
By means of combined ab initio and semiempirical simulations, the charge transmission properties of potassium- and nitrogen-doped nanotubes are compared. The backscattering efficiency of adsorbed potassium is shown to be much weaker, owing to a shallower impurity potential well that weakly traps the induced quasibound states. The difference in conductance and elastic mean free paths is further investigated for nanotubes with lengths of several tens of micrometers and random distribution of dopants. Our results provide clear criteria for favoring doping by physisorption instead of chemical substitutions.
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页数：5
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