The rectification behaviours in organic magnetic/nonmagnetic co-oligomer spin rectifiers are investigated theoretically. It is found that both the charge current and the spin current through the device are rectified a...The rectification behaviours in organic magnetic/nonmagnetic co-oligomer spin rectifiers are investigated theoretically. It is found that both the charge current and the spin current through the device are rectified at the same time. By adjusting the proportion between the magnetic and nonmagnetic components, the threshold voltage and the rectification ratio of the rectifier are modulated. A large rectification ratio is obtained when the two components are equal in length. The intrinsic mechanism is analysed in terms of the asymmetric localization of molecular orbitals under biases. The effect of molecular length on the rectification is also discussed. These results will be helpful in the future design of organic spin diodes.展开更多
We investigate the electronic transport properties of dipyrimidinyl-diphenyl sandwiched between two armchair graphene nanoribbon electrodes using the nonequilibrium Green function formalism combined with a first-princ...We investigate the electronic transport properties of dipyrimidinyl-diphenyl sandwiched between two armchair graphene nanoribbon electrodes using the nonequilibrium Green function formalism combined with a first-principles method based on density functional theory. Among the three models M1–M3, M1 is not doped with a heteroatom. In the left parts of M2 and M3, nitrogen atoms are doped at two edges of the nanoribbon. In the right parts, nitrogen atoms are doped at one center and at the edges of M2 and M3, respectively. Comparisons of M1, M2 and M3 show obvious rectifying characteristics, and the maximum rectification ratios are up to 42.9 in M2. The results show that the rectifying behavior is strongly dependent on the doping position of electrodes. A higher rectification ratio can be found in the dipyrimidinyl-diphenyl molecular device with asymmetric doping of left and right electrodes, which suggests that this system has a broader application in future logic and memory devices.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant Nos.10904084 and 10904083)the MiddleAged and Young Scientists Research Awards Foundation of Shandong Province of China (Grant No.2009BS01009)+1 种基金the Science and Technology Foundation for Institution of Higher Education of Shandong Province of China (Grant No.J09LA03)the Postdoctoral Science Foundation of China
文摘The rectification behaviours in organic magnetic/nonmagnetic co-oligomer spin rectifiers are investigated theoretically. It is found that both the charge current and the spin current through the device are rectified at the same time. By adjusting the proportion between the magnetic and nonmagnetic components, the threshold voltage and the rectification ratio of the rectifier are modulated. A large rectification ratio is obtained when the two components are equal in length. The intrinsic mechanism is analysed in terms of the asymmetric localization of molecular orbitals under biases. The effect of molecular length on the rectification is also discussed. These results will be helpful in the future design of organic spin diodes.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11504283 and 21503153the Natural Science Foundation of Shaanxi Province under Grant No 2014JM1025the Science and Technology Star Project of Shaanxi Province under Grant No 2016KJXX-45
文摘We investigate the electronic transport properties of dipyrimidinyl-diphenyl sandwiched between two armchair graphene nanoribbon electrodes using the nonequilibrium Green function formalism combined with a first-principles method based on density functional theory. Among the three models M1–M3, M1 is not doped with a heteroatom. In the left parts of M2 and M3, nitrogen atoms are doped at two edges of the nanoribbon. In the right parts, nitrogen atoms are doped at one center and at the edges of M2 and M3, respectively. Comparisons of M1, M2 and M3 show obvious rectifying characteristics, and the maximum rectification ratios are up to 42.9 in M2. The results show that the rectifying behavior is strongly dependent on the doping position of electrodes. A higher rectification ratio can be found in the dipyrimidinyl-diphenyl molecular device with asymmetric doping of left and right electrodes, which suggests that this system has a broader application in future logic and memory devices.
