960化工网
Electronic and thermal spin effect of molecular nanowires between graphene electrodes
X. Q. Deng,R. Q. Sheng
RSC Advances Pub Date : 10/04/2018 00:00:00 , DOI:10.1039/C8RA06852F
Abstract

Based on the first-principles method, the electronic spin transport properties of terphenyl molecule bridging in zigzag graphene nanoribbon (ZGNR) electrodes with three connecting linkages were investigated, including dangling, heptagon, and pentagon-linkages. For the pentagon-linkage system, we observed a perfect spin filtering effect in the parallel (P) configuration (at almost 100% spin polarization), with the heptagon-linkages system following next (85–95% spin polarization), however, the spin filtering effect is almost negligible for the dangling-linkages system. In the antiparallel (AP) configuration, the pentagon- and heptagon-linkage systems also showed a high spin filtering effect. The terphenyl molecule was then replaced by carbon chains based on the pentagon-linkages, and these devices also show a perfect spin filtering effect (100% spin polarization). Finally, the thermally induced spin transport for the carbon chains model with pentagon-linkages was explored, and this system exhibits almost 100% thermal spin polarization.

Graphical abstract: Electronic and thermal spin effect of molecular nanowires between graphene electrodes
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