Dynamical Simulations of Polaron Spin-Filtering and Rectification in an Organic Magnetic–Nonmagnetic Co-oligomer: The Interfacial Effect
The interfacial effect on the dynamical properties of spin-dependent polarons in an organic magnetic/nonmagnetic co-oligomer is investigated by using a tight-binding model coupled with a nonadiabatic dynamic method. It is found that the dynamical behaviors of spin-up and spin-down polarons are quite...
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Published in | Journal of physical chemistry. C Vol. 123; no. 23; pp. 14432 - 14438 |
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Main Authors | , , , , , , , , , , , , |
Format | Journal Article |
Language | English |
Published |
American Chemical Society
13.06.2019
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Online Access | Get full text |
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Summary: | The interfacial effect on the dynamical properties of spin-dependent polarons in an organic magnetic/nonmagnetic co-oligomer is investigated by using a tight-binding model coupled with a nonadiabatic dynamic method. It is found that the dynamical behaviors of spin-up and spin-down polarons are quite different at the interface. In the presence of an external electric field, polarons with a specific spin (up or down) can get trapped near the magnetic/nonmagnetic interface while the motion of polarons with an opposite spin is not affected, which leads to the phenomenon of polaron spin-filtering. Interestingly, when the electric field is reversely applied, only polarons with opposite spin can pass through the co-oligomer and spin rectification can be observed. The spin-filtering and rectification can be improved by increasing the strength of the spin correlation in the magnetic part of the co-oligomer and they can also be affected by the strength of the interfacial electron–lattice coupling and the electronic transfer integral. These findings are useful for the design of organic-based spin logic devices. |
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ISSN: | 1932-7447 1932-7455 |
DOI: | 10.1021/acs.jpcc.9b01819 |