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000875157 1001_ $$0P:(DE-Juel1)131010$$aTsukamoto, Shigeru$$b0$$eCorresponding author
000875157 245__ $$aSpin-polarized electron transmission through B-doped graphene nanoribbons with Fe functionalization: a first-principles study
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000875157 520__ $$aIn this study, we investigate the electron transport properties of a B-doped armchair graphene nanoribbon (AGNR) suspended between graphene electrodes based on first-principles calculations. Our calculations reveal that one of the electron transmission channels of a pristine AGNR junction is closed by the B-doping. We then proceed to explore the effect of the B-doping on the spin-polarized electron transport behavior of a Fe-functionalized AGNR junction. As a result, transmission channels for majority-spin electrons are closed and the spin polarization of the electron transmission is enhanced from 0.60 for the Fe-functionalized AGNR junction to 0.96 for the B- and Fe-codoped one. This observation implies that the codoped AGNR junction can be employed as a spin filter. In addition, we investigate the electronic nature of the transmission suppression caused by the B-doping. A detailed analysis of the scattering wave functions clarifies that a mode modulation of an incident wave arises in the B-doped AGNR part and the incident wave connects to an evanescent wave in the transmission-side electrode. For pristine and Fe-functionalized AGNR junctions, such a mode modulation is not observed and the incident wave connects to a propagating wave in the transmission-side electrode. Tuning of electron transport property by exploiting such a mode modulation is one of promising techniques for designing functionality of spintronics devices. We also discuss the general correspondence between the electron transmission spectrum and the density of states of a junction.
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000875157 536__ $$0G:(DE-Juel1)jias1e_20190501$$aHybrid 2D-based interfaces from first principles (jias1e_20190501)$$cjias1e_20190501$$fHybrid 2D-based interfaces from first principles$$x2
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000875157 7001_ $$0P:(DE-Juel1)130583$$aCaciuc, Vasile$$b1$$ufzj
000875157 7001_ $$0P:(DE-Juel1)130513$$aAtodiresei, Nicolae$$b2$$ufzj
000875157 7001_ $$0P:(DE-Juel1)130548$$aBlügel, Stefan$$b3$$ufzj
000875157 773__ $$0PERI:(DE-600)1464444-7$$a10.1088/1367-2630/ab8cac$$gVol. 22, no. 6, p. 063022 -$$n6$$p063022$$tNew journal of physics$$v22$$x1367-2630$$y2020
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