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2 Materials Science Poland

2 2004

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Electron transport through single molecular wires

100%

Grace I. M. , Bailey S. W. , Jefferson J. , Lambert C. J.

tom Vol. 22, No. 4

507--512

Using a scattering technique combined with density-functional theory, a computational study of electron transport through two recently synthesized molecules is presented. The effect of connecting the molecules to gold electrodes is studied by iteratively increasing the number of gold layers, treated self-consistently as part of the molecule.

Spin-dependent transport and inter-wall coupling in carbon nanotubes

100%

Lambert C. J. , Athanasopoulos S. , Grace I. M. , Bailey S. W.

tom Vol. 22, No. 4

435--444

Theoretical results for electron transport through two structures involving carbon nanotubes are presented. The first structure was a nanotube inserted into another nanotube of a larger diameter. The electrical conductance of the resulting double-wall CNT is an oscillatory function of the length of the insertion. The frequency and amplitude of these oscillations reflect the position dependence of inter-tube interaction in multi-wall CNTs. The second structure was a single-wall carbon nanotube (CNT) in contact with ferromagnetic electrodes, exhibiting giant magnetoresistance (GMR). An intuitive picture of GMR in clean nanotubes with low-resistance contacts is presented and ab initio results are obtained for GMR in Nickelcontacted nanotubes.