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Title: 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:
 [1];  [2]; ORCiD logo [3]; ORCiD logo [4]
  1. International Center for Quantum Design of Functional Materials (ICQD), Hefei National Laboratory for Physical Sciences at the Microscale (HFNL), University of Science and Technology of China, Hefei, Anhui 230026, China
  2. Department of Physics and Astronomy, University of Louisville, Louisville, Kentucky 40292, United States
  3. International Center for Quantum Design of Functional Materials (ICQD), Hefei National Laboratory for Physical Sciences at the Microscale (HFNL), University of Science and Technology of China, Hefei, Anhui 230026, China; Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026, China
  4. International Center for Quantum Design of Functional Materials (ICQD), Hefei National Laboratory for Physical Sciences at the Microscale (HFNL), University of Science and Technology of China, Hefei, Anhui 230026, China; Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026, China; Key Laboratory of Strongly-Coupled Quantum Matter Physics, Chinese Academy of Sciences, School of Physical Sciences, University of Science and Technology of China, Hefei, Anhui 230026, China
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory-National Energy Research Scientific Computing Center
Sponsoring Org.:
USDOE
OSTI Identifier:
1482392
Resource Type:
Journal Article
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 121; Journal Issue: 44; Journal ID: ISSN 1932-7447
Country of Publication:
United States
Language:
English

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. doi:10.1021/acs.jpcc.7b07036.
Liu, Lixue, Liu, Shudun, Zhang, Zhenyu, and Zhu, Wenguang. Tue . "Theoretical Design of Robust Ferromagnetism and Bipolar Semiconductivity in Graphene-Based Nanoroads". United States. doi:10.1021/acs.jpcc.7b07036.
@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},
issn = {1932-7447},
number = 44,
volume = 121,
place = {United States},
year = {2017},
month = {10}
}