The heat transport m a one-dimensional （ID） carbon nanowire （CNW） lying in an external potential with different amplitudes and periods is studied by the non-equilibrium molecular dynamics method. It is found that ...The heat transport m a one-dimensional （ID） carbon nanowire （CNW） lying in an external potential with different amplitudes and periods is studied by the non-equilibrium molecular dynamics method. It is found that the thermal conductivity of CNW is always anomalous, increasing with the CNW length and obeying the power law k- N, in which a decreases with the increasing external potential amplitude. The thermal conductivity could be enhanced by the external potential with rather larger amplitudes, which means that an applied external potential could be an efficient tool to improve the heat conductivity of a real 1D material In addition, the effect of different periods of the external potential is studied, finding the external potential with an incommensurate period leads to the smaller a value.展开更多
The infrared absorption spectra of undoped few-layer graphenes with the layer number of N = 1-6, the hole- and electron-doped few-layer graphenes with the layer number of N =1-4 have been studied based upon the tight-...The infrared absorption spectra of undoped few-layer graphenes with the layer number of N = 1-6, the hole- and electron-doped few-layer graphenes with the layer number of N =1-4 have been studied based upon the tight-binding model. It is found that in contrast with the featureless optical spectrum of the undoped monolayer graphene, the undoped AB-stacking bi-, tri-, tetra- and more-layer graphene exhibit characteristic jumps in their infrared absorption （IR） spectra, which are caused by coupling between different layers. It is also found that the clear peaks exist in the IR spectra of the hole or electron-doped hi-, tri- and tetra-layer graphenes, which are induced by the strong IR transitions between their parallel valence or conduction bands. Based upon their different IR spectra, a powerful experimental tool has been proposed to identify accurately the layer number and doping type for the few-layer graphenes.展开更多
We study the electronic properties of CuAlO2 doped with S by the first principles calculations and find that the band gap of CuAlO2 is reduced after the doping.At the same time,the effective masses are also reduced an...We study the electronic properties of CuAlO2 doped with S by the first principles calculations and find that the band gap of CuAlO2 is reduced after the doping.At the same time,the effective masses are also reduced and the density of states could cross the Fermi level.These results show that the conductivity of CuAlO2 could be enhanced by doping the impurities of S,which needs to be further studied.展开更多
基金Supported by the Natural Science Foundation of China under Grant Nos 10474035, and 90503012, and the National Basic Research Programme of China under Grant No 2004CB619004. Ge thanks WU Gang and LU0 Chuanfu for useful discussions and suggestions.
文摘The heat transport m a one-dimensional （ID） carbon nanowire （CNW） lying in an external potential with different amplitudes and periods is studied by the non-equilibrium molecular dynamics method. It is found that the thermal conductivity of CNW is always anomalous, increasing with the CNW length and obeying the power law k- N, in which a decreases with the increasing external potential amplitude. The thermal conductivity could be enhanced by the external potential with rather larger amplitudes, which means that an applied external potential could be an efficient tool to improve the heat conductivity of a real 1D material In addition, the effect of different periods of the external potential is studied, finding the external potential with an incommensurate period leads to the smaller a value.
基金Supported by the National Natural Science Foundation of China under Grant No 10874067, and the Grant for State Key Program of China under Grant Nos 2004CB619004 and 2006CB921803.
文摘The infrared absorption spectra of undoped few-layer graphenes with the layer number of N = 1-6, the hole- and electron-doped few-layer graphenes with the layer number of N =1-4 have been studied based upon the tight-binding model. It is found that in contrast with the featureless optical spectrum of the undoped monolayer graphene, the undoped AB-stacking bi-, tri-, tetra- and more-layer graphene exhibit characteristic jumps in their infrared absorption （IR） spectra, which are caused by coupling between different layers. It is also found that the clear peaks exist in the IR spectra of the hole or electron-doped hi-, tri- and tetra-layer graphenes, which are induced by the strong IR transitions between their parallel valence or conduction bands. Based upon their different IR spectra, a powerful experimental tool has been proposed to identify accurately the layer number and doping type for the few-layer graphenes.
基金supported by the National Laboratory of Solid State Microstructures (Grant No. 2010YJ07)
文摘We study the electronic properties of CuAlO2 doped with S by the first principles calculations and find that the band gap of CuAlO2 is reduced after the doping.At the same time,the effective masses are also reduced and the density of states could cross the Fermi level.These results show that the conductivity of CuAlO2 could be enhanced by doping the impurities of S,which needs to be further studied.
