Theoretical Design of Robust Ferromagnetism and Bipolar Semiconductivity in Graphene-Based Nanoroads

Liu, Lixue; Liu, Shudun; Zhang, Zhenyu; Zhu, Wenguang

doi:10.1021/acs.jpcc.7b07036

Title: Theoretical Design of Robust Ferromagnetism and Bipolar Semiconductivity in Graphene-Based Nanoroads

Journal Article · 12 October 2017 · Journal of Physical Chemistry. C

DOI: https://doi.org/10.1021/acs.jpcc.7b07036 · OSTI ID:1482392

Liu, Lixue ^[1]; Liu, Shudun ^[2];

^[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

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.

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Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE

OSTI ID:: 1482392

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 44 Vol. 121; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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