Based on nonequilibrium Green's function method and density functional theory calculations,we investigate theoretically the electronic transport properties of 1,4-bis(fullero[c]pyrrolidinl-yl)benzene (BDC60).A low...Based on nonequilibrium Green's function method and density functional theory calculations,we investigate theoretically the electronic transport properties of 1,4-bis(fullero[c]pyrrolidinl-yl)benzene (BDC60).A low bias negative differential resistance with the peak-to-valley ratio as high as 305.41 is obtained.The observed negative differential resistance is explained in terms of the evolution of the transmission spectra,molecular projected self-consistent Hamiltonian states and molecular projected energy levels with applied bias.展开更多
基金Supported by the National Natural Science Foundation of China under Grant No 11104115the Natural Science Foundation of Shandong Province under Grant No ZR2009AL004+1 种基金the Doctoral Foundation of University of Jinan under Grant No XBS1004the Key Laboratory of Semiconductor Materials Science Program of Institute of Semiconductors of Beijing under Grant No KLSMS-0908.
文摘Based on nonequilibrium Green's function method and density functional theory calculations,we investigate theoretically the electronic transport properties of 1,4-bis(fullero[c]pyrrolidinl-yl)benzene (BDC60).A low bias negative differential resistance with the peak-to-valley ratio as high as 305.41 is obtained.The observed negative differential resistance is explained in terms of the evolution of the transmission spectra,molecular projected self-consistent Hamiltonian states and molecular projected energy levels with applied bias.
