Modulation of organic interfacial spin polarization by interfacial angle

来源 :第十九届全国凝聚态理论与统计物理学术会议 | 被引量 : 0次 | 上传用户:ESC_liangzi
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  First principles calculations are adopted to study the spin polarization properties of thiophene molecule which adsorbed at the Co,Fe,and Ni electrode surfaces.We used the Vienna ab initio Simulation Package (VASP) with the generalized gradient approximation (GGA) in the calculations.The density of states,spin-polarized density distributions as well as the differential charge density distributions are obtained.It is found that the p orbital of the thiophene molecule will interact with the d orbital of the ferromagnetic electrodes,which will generate new spin coupling states and lead to obvious spin polarization in the thiophene molecule.Different electrodes induce different spin polarization properties,and in which the Fe electrode will bring the biggest spin polarization of the thiophene molecule.People can selectively and efficiently inject spin polarized electrons into molecules by choosing suitable ferromagnetic electrodes in organic spintronics devices.
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