Transport properties of boron nanotubes investigated by ab initio calculation |
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Authors: | Guo Wei Hu Yi-Bin Zhang Yu-Yang Du Shi-Xuan and Gao Hong-Jun |
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Institution: | Nanoscale Physics and Devices Laboratory, Institute of
Physics,
Chinese Academy of Sciences, Beijing 100190, China |
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Abstract: | We investigate atomic and electronic structures of boron nanotubes
(BNTs) by using the density functional theory (DFT). The transport
properties of BNTs with different diameters and chiralities are
studied by the Keldysh nonequilibrium Green function (NEGF) method.
It is found that the cohesive energies and conductances of BNTs
decrease as their diameters decrease. It is more difficult to form
(N, 0) tubes than (M, M) tubes when the diameters of the two kinds
of tubes are comparable. However, the (N, 0) tubes have a higher
conductance than the (M, M) tubes. When the BNTs are connected to
gold electrodes, the coupling between the BNTs and the electrodes
will affect the transport properties of tubes significantly. |
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Keywords: | nonequilibrium Green function transport properties boron nanotubes |
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