Based on density functional theory （DFT） calculations, we investigate the spin-related properties of spinless-hole injected organic molecule pentacene （Pc）. DFT calculations reveal that there is spontaneous spin p...Based on density functional theory （DFT） calculations, we investigate the spin-related properties of spinless-hole injected organic molecule pentacene （Pc）. DFT calculations reveal that there is spontaneous spin polarization in Pc when spinless-hole is injected. The chargeinduced magnetic moment of Pc increases linearly with the increasing of the extra hole charge amount and its maximum can be up to 1 μB per injected spinless-hole per Pc molecule. The magnetic moment is expected due to the injected unpaired charge. The injected hole will preferably ll the spin-splitted carbon pz orbitals, which makes the Pc molecule spin polarize.展开更多
Using an equation of motion technique, we investigate the spin-polarized transport through a quantum dot coupled to ferromagnetic leads and a mesoseopie ring by the Anderson Hamiltonian. We analyze the transmission pr...Using an equation of motion technique, we investigate the spin-polarized transport through a quantum dot coupled to ferromagnetic leads and a mesoseopie ring by the Anderson Hamiltonian. We analyze the transmission probability of this system in both the equilibrium and nonequilibrium cases, and our results reveal that the transport properties show some noticeable characteristics depending upon the spin-polarized strength p, the magnetic flux Ф and the number of lattice sites NR in the mesoseopic ring. These effects might have some potential applications in spintronics.展开更多
文摘Based on density functional theory （DFT） calculations, we investigate the spin-related properties of spinless-hole injected organic molecule pentacene （Pc）. DFT calculations reveal that there is spontaneous spin polarization in Pc when spinless-hole is injected. The chargeinduced magnetic moment of Pc increases linearly with the increasing of the extra hole charge amount and its maximum can be up to 1 μB per injected spinless-hole per Pc molecule. The magnetic moment is expected due to the injected unpaired charge. The injected hole will preferably ll the spin-splitted carbon pz orbitals, which makes the Pc molecule spin polarize.
基金Supported by the Scientific Research Funds of Education Department of Sichuan Province under Grant No. 2006A069the Major Basic Research Project of Sichuan Province under Grant No. 2006J13-155
文摘Using an equation of motion technique, we investigate the spin-polarized transport through a quantum dot coupled to ferromagnetic leads and a mesoseopie ring by the Anderson Hamiltonian. We analyze the transmission probability of this system in both the equilibrium and nonequilibrium cases, and our results reveal that the transport properties show some noticeable characteristics depending upon the spin-polarized strength p, the magnetic flux Ф and the number of lattice sites NR in the mesoseopic ring. These effects might have some potential applications in spintronics.
