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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. 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)
  2. Univ. of Louisville, KY (United States). Dept. of Physics and Astronomy
  3. 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
  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 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. https://doi.org/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 = {2017},
month = {10}
}

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Free Publicly Available Full Text
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Figures / Tables:

Table 1 Table 1: Calculated carrier effective masses (m*) of ziggag-edged HHGNRs (unit in the free electron mass m0)

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      Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.