Conductance and spin-filter effects of oxygen-incorporated Au, Cu, and Fe single-atom chains
Abstract
We studied the spin-polarized electron transport in oxygen-incorporated Au, Cu, and Fe single-atom chains (SACs) by first-principles calculations. We first investigated the mechanism responsible for the low conductance (<1G{sub 0}) of the Au and Cu SACs in an oxygen environment reported in recent experiments. We found that for the Au SACs, the low conductance plateau around 0.6G{sub 0} can be attributed to a distorted chain doped with a single oxygen atom, while the 0.1G{sub 0} conductance comes from a linear chain incorporated with an oxygen molecule and is caused by an antibonding state formed by oxygen's occupied frontier orbital with d{sub z} orbitals of adjacent Au atoms. For the Cu SACs, the conductance about 0.3G{sub 0} is ascribed to a special configuration that contains Cu and O atoms in an alternating sequence. This exhibits an even-odd conductance oscillation with an amplitude of ∼0.1G{sub 0}. In contrast, for the alternating Fe-O SACs, conductance overall decreases with an increase in O atoms and it approaches nearly zero for the chain with more than four O atoms. While the Cu-O SACs behave as perfect spin filters for one spin channel due to the half metallic nature, the Fe-O SACs can serve as perfectmore »
- Authors:
-
- Department of Physics, Shanghai Normal University, 100 Guilin Road, Shanghai 200232 (China)
- MOE Key Laboratory of Advanced Microstructured Materials, School of Physics Science and Engineering, Tongji University, 1239 Siping Road, Shanghai 200092 (China)
- Publication Date:
- OSTI Identifier:
- 22412988
- Resource Type:
- Journal Article
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Volume: 117; Journal Issue: 4; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ATOMS; CONCENTRATION RATIO; COPPER; DOPED MATERIALS; ELECTRIC CONDUCTIVITY; ELECTRIC POTENTIAL; ELECTRONS; GOLD; IRON; MOLECULES; OSCILLATIONS; OXYGEN; SPIN; SPIN ORIENTATION
Citation Formats
Zheng, Xiaolong, Xie, Yi-Qun, Ye, Xiang, and Ke, San-Huang. Conductance and spin-filter effects of oxygen-incorporated Au, Cu, and Fe single-atom chains. United States: N. p., 2015.
Web. doi:10.1063/1.4906439.
Zheng, Xiaolong, Xie, Yi-Qun, Ye, Xiang, & Ke, San-Huang. Conductance and spin-filter effects of oxygen-incorporated Au, Cu, and Fe single-atom chains. United States. https://doi.org/10.1063/1.4906439
Zheng, Xiaolong, Xie, Yi-Qun, Ye, Xiang, and Ke, San-Huang. 2015.
"Conductance and spin-filter effects of oxygen-incorporated Au, Cu, and Fe single-atom chains". United States. https://doi.org/10.1063/1.4906439.
@article{osti_22412988,
title = {Conductance and spin-filter effects of oxygen-incorporated Au, Cu, and Fe single-atom chains},
author = {Zheng, Xiaolong and Xie, Yi-Qun and Ye, Xiang and Ke, San-Huang},
abstractNote = {We studied the spin-polarized electron transport in oxygen-incorporated Au, Cu, and Fe single-atom chains (SACs) by first-principles calculations. We first investigated the mechanism responsible for the low conductance (<1G{sub 0}) of the Au and Cu SACs in an oxygen environment reported in recent experiments. We found that for the Au SACs, the low conductance plateau around 0.6G{sub 0} can be attributed to a distorted chain doped with a single oxygen atom, while the 0.1G{sub 0} conductance comes from a linear chain incorporated with an oxygen molecule and is caused by an antibonding state formed by oxygen's occupied frontier orbital with d{sub z} orbitals of adjacent Au atoms. For the Cu SACs, the conductance about 0.3G{sub 0} is ascribed to a special configuration that contains Cu and O atoms in an alternating sequence. This exhibits an even-odd conductance oscillation with an amplitude of ∼0.1G{sub 0}. In contrast, for the alternating Fe-O SACs, conductance overall decreases with an increase in O atoms and it approaches nearly zero for the chain with more than four O atoms. While the Cu-O SACs behave as perfect spin filters for one spin channel due to the half metallic nature, the Fe-O SACs can serve as perfect spin filters for two spin channels depending on the polarity of the applied gate voltage.},
doi = {10.1063/1.4906439},
url = {https://www.osti.gov/biblio/22412988},
journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 4,
volume = 117,
place = {United States},
year = {Wed Jan 28 00:00:00 EST 2015},
month = {Wed Jan 28 00:00:00 EST 2015}
}