TY  - JOUR
AU  - Tsukamoto, Shigeru
AU  - Caciuc, Vasile
AU  - Atodiresei, Nicolae
AU  - Blügel, Stefan
TI  - Spin-polarized electron transmission through B-doped graphene nanoribbons with Fe functionalization: a first-principles study
JO  - New journal of physics
VL  - 22
IS  - 6
SN  - 1367-2630
CY  - [London]
PB  - IOP73379
M1  - FZJ-2020-01847
SP  - 063022
PY  - 2020
AB  - In 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000543093100001
DO  - DOI:10.1088/1367-2630/ab8cac
UR  - https://juser.fz-juelich.de/record/875157
ER  -