Theoretical Design of Robust Ferromagnetism and Bipolar Semiconductivity in Graphene-Based Nanoroads
Abstract
The search for graphene-based materials for spintronics applications has intensified in recent years, and numerous designs have been proposed based on various modifications to pristine graphene. Despite the tremendous progress made in the past, finding a design that can be realized in practice remains a challenging task. Encouraged by recent experimental breakthroughs, here we propose a feasible scheme to realize graphene-based magnetic nanoroads. This new material consists of a half-hydrogenated graphene nanoroad embedded in a fully hydrogenated graphene sheet. Using first-principles density functional theory calculations, we demonstrate that such a design can convert nonmagnetic pristine graphene into a bipolar ferromagnetic semiconductor. More importantly, as a result of areal magnetization enabled by half-hydrogenation, the overall magnetism of such a nanoroad is very robust against a variation of either its width or orientation. We also propose a simple design of an all-electric controlled device based on the new material for the generation and regulation of a fully spin-polarized electric current.
- Authors:
-
[3];
[4]
- Univ. of Science and Technology of China, Hefei (China). International Center for Quantum Design of Functional Materials (ICQD), Hefei National Lab. for Physical Sciences at the Microscale (HFNL)
- Univ. of Louisville, KY (United States). Dept. of Physics and Astronomy
- Univ. of Science and Technology of China, Hefei (China). International Center for Quantum Design of Functional Materials (ICQD), Hefei National Lab. for Physical Sciences at the Microscale (HFNL); Univ. of Science and Technology of China, Hefei (China). Synergetic Innovation Center of Quantum Information and Quantum Physics
- Univ. of Science and Technology of China, Hefei (China). International Center for Quantum Design of Functional Materials (ICQD), Hefei National Lab. for Physical Sciences at the Microscale (HFNL); Univ. of Science and Technology of China, Hefei (China). Synergetic Innovation Center of Quantum Information and Quantum Physics; Chinese Academy of Sciences (CAS), Beijing (China). Key Lab. of Strongly-Coupled Quantum Matter Physics
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1482392
- Grant/Contract Number:
- 11374273; 11034006; WK2090050027; WK2060190027; WK2340000063
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry. C
- Additional Journal Information:
- Journal Volume: 121; Journal Issue: 44; Journal ID: ISSN 1932-7447
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Liu, Lixue, Liu, Shudun, Zhang, Zhenyu, and Zhu, Wenguang. Theoretical Design of Robust Ferromagnetism and Bipolar Semiconductivity in Graphene-Based Nanoroads. United States: N. p., 2017.
Web. doi:10.1021/acs.jpcc.7b07036.
Liu, Lixue, Liu, Shudun, Zhang, Zhenyu, & Zhu, Wenguang. Theoretical Design of Robust Ferromagnetism and Bipolar Semiconductivity in Graphene-Based Nanoroads. United States. https://doi.org/10.1021/acs.jpcc.7b07036
Liu, Lixue, Liu, Shudun, Zhang, Zhenyu, and Zhu, Wenguang. Thu .
"Theoretical Design of Robust Ferromagnetism and Bipolar Semiconductivity in Graphene-Based Nanoroads". United States. https://doi.org/10.1021/acs.jpcc.7b07036. https://www.osti.gov/servlets/purl/1482392.
@article{osti_1482392,
title = {Theoretical Design of Robust Ferromagnetism and Bipolar Semiconductivity in Graphene-Based Nanoroads},
author = {Liu, Lixue and Liu, Shudun and Zhang, Zhenyu and Zhu, Wenguang},
abstractNote = {The search for graphene-based materials for spintronics applications has intensified in recent years, and numerous designs have been proposed based on various modifications to pristine graphene. Despite the tremendous progress made in the past, finding a design that can be realized in practice remains a challenging task. Encouraged by recent experimental breakthroughs, here we propose a feasible scheme to realize graphene-based magnetic nanoroads. This new material consists of a half-hydrogenated graphene nanoroad embedded in a fully hydrogenated graphene sheet. Using first-principles density functional theory calculations, we demonstrate that such a design can convert nonmagnetic pristine graphene into a bipolar ferromagnetic semiconductor. More importantly, as a result of areal magnetization enabled by half-hydrogenation, the overall magnetism of such a nanoroad is very robust against a variation of either its width or orientation. We also propose a simple design of an all-electric controlled device based on the new material for the generation and regulation of a fully spin-polarized electric current.},
doi = {10.1021/acs.jpcc.7b07036},
journal = {Journal of Physical Chemistry. C},
number = 44,
volume = 121,
place = {United States},
year = {Thu Oct 12 00:00:00 EDT 2017},
month = {Thu Oct 12 00:00:00 EDT 2017}
}
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Figures / Tables:
Table 1: Calculated carrier effective masses (m*) of ziggag-edged HHGNRs (unit in the free electron mass m0)
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Works referencing / citing this record:
Computational Prediction of the Low‐Temperature Ferromagnetic Semiconducting 2D SiN Monolayer
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