Large dual spin-rectifying and high-efficiency dual spin-filtering in cyclooligomeric Mn-phthalocyanine dimer molecular junction
1
School of Physics and Technology , University of Jinan , Jinan 250022 , China
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Publication type: Journal Article
Publication date: 2019-06-01
scimago Q2
wos Q2
SJR: 0.546
CiteScore: 5.9
Impact factor: 3.1
ISSN: 00092614, 18734448
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
Based on density functional theory combined with nonequilibrium Green’s function technique, we investigate the spin-polarized transport properties of the cyclooligomeric Mn-phthalocyanine dimer and Fe-phthalocyanine dimer with carbon nanotube electrodes. The results show that the spin-polarized transport properties can be effectively tuned by changing the central transition metal atoms, and the Mn-phthalocyanine dimer system can exhibit large dual spin-rectifying and high-efficiency dual spin-filtering effects simultaneously under the [1, −1] magnetic configuration. The underlying mechanism is analyzed by spin-resolved transmission spectra, molecular projected self-consistent Hamiltonian orbitals and their spatial distribution.
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Sun X., Zhao P. Large dual spin-rectifying and high-efficiency dual spin-filtering in cyclooligomeric Mn-phthalocyanine dimer molecular junction // Chemical Physics Letters. 2019. Vol. 724. pp. 73-79.
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Sun X., Zhao P. Large dual spin-rectifying and high-efficiency dual spin-filtering in cyclooligomeric Mn-phthalocyanine dimer molecular junction // Chemical Physics Letters. 2019. Vol. 724. pp. 73-79.
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TY - JOUR
DO - 10.1016/j.cplett.2019.03.056
UR - https://doi.org/10.1016/j.cplett.2019.03.056
TI - Large dual spin-rectifying and high-efficiency dual spin-filtering in cyclooligomeric Mn-phthalocyanine dimer molecular junction
T2 - Chemical Physics Letters
AU - Sun, Xiao-Wen
AU - Zhao, Peng
PY - 2019
DA - 2019/06/01
PB - Elsevier
SP - 73-79
VL - 724
SN - 0009-2614
SN - 1873-4448
ER -
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BibTex (up to 50 authors)
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@article{2019_Sun,
author = {Xiao-Wen Sun and Peng Zhao},
title = {Large dual spin-rectifying and high-efficiency dual spin-filtering in cyclooligomeric Mn-phthalocyanine dimer molecular junction},
journal = {Chemical Physics Letters},
year = {2019},
volume = {724},
publisher = {Elsevier},
month = {jun},
url = {https://doi.org/10.1016/j.cplett.2019.03.056},
pages = {73--79},
doi = {10.1016/j.cplett.2019.03.056}
}