TY - JOUR
T1 - Organic Stable Radical Oligomers as Spin Filters
AU - Cho, Daeheum
AU - Lee, Jin Yong
N1 - Publisher Copyright:
© 2023 American Chemical Society.
PY - 2023/5/4
Y1 - 2023/5/4
N2 - Single-molecule magnetic junctions provide versatile platforms for use in manipulating spin-polarized currents via fine-tuning the electronic properties of the sandwiched molecule. We employed the nonequilibrium Green’s function and spin-polarized density functional theory simulations to investigate the performances of high-spin organic oligoradicals as spin filters sandwiched between two gold electrodes. The spin-polarized current could be obtained using the junction bearing a high-spin molecule with almost unity spin filtering efficiency. Moreover, the spin filtering efficiency could be tuned by varying the number of magnetic units, e.g., di-, tri-, and tetraradicals. Transmission eigenchannel, spin orbital, and density of states analyses revealed how the magnetic exchange interaction in a molecule modulates the dominant electron conducting channels and spin filtering efficiency. The use of a tunable organic magnetic molecular junction system may be a promising approach in manipulating the spin-polarized currents in spintronic devices.
AB - Single-molecule magnetic junctions provide versatile platforms for use in manipulating spin-polarized currents via fine-tuning the electronic properties of the sandwiched molecule. We employed the nonequilibrium Green’s function and spin-polarized density functional theory simulations to investigate the performances of high-spin organic oligoradicals as spin filters sandwiched between two gold electrodes. The spin-polarized current could be obtained using the junction bearing a high-spin molecule with almost unity spin filtering efficiency. Moreover, the spin filtering efficiency could be tuned by varying the number of magnetic units, e.g., di-, tri-, and tetraradicals. Transmission eigenchannel, spin orbital, and density of states analyses revealed how the magnetic exchange interaction in a molecule modulates the dominant electron conducting channels and spin filtering efficiency. The use of a tunable organic magnetic molecular junction system may be a promising approach in manipulating the spin-polarized currents in spintronic devices.
UR - http://www.scopus.com/inward/record.url?scp=85154020210&partnerID=8YFLogxK
U2 - 10.1021/acs.jpcc.3c00179
DO - 10.1021/acs.jpcc.3c00179
M3 - Article
AN - SCOPUS:85154020210
SN - 1932-7447
VL - 127
SP - 8256
EP - 8262
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
IS - 17
ER -