Tailoring graphene magnetism by zigzag triangular holes: A first-principles thermodynamics study
- KAIST, Daejeon (Republic of Korea)
- Rensselaer Polytechnic Institute, Troy, NY (United States)
In this study, we discuss the thermodynamic stability and magnetic property of zigzag triangular holes (ZTHs) in graphene based on the results of first-principles density functional theory calculations. We find that ZTHs with hydrogen-passivated edges in mixed sp2/sp3 configurations (z211) could be readily available at experimental thermodynamic conditions, but ZTHs with 100% sp2 hydrogen-passivation (z1) could be limitedly available at high temperature and ultra-high vacuum conditions. Graphene magnetization near the ZTHs strongly depends on the type and the size of the triangles. While metallic z1 ZTHs exhibit characteristic edge magnetism due to the same-sublattice engineering, semiconducting z211 ZTHs do show characteristic corner magnetism when the size is small < 2 nm. Our findings could be useful for experimentally tailoring metal-free carbon magnetism by simply fabricating triangular holes in graphene.
- Research Organization:
- Rensselaer Polytechnic Inst., Troy, NY (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- Grant/Contract Number:
- SC0002623
- OSTI ID:
- 1255235
- Journal Information:
- AIP Advances, Vol. 6, Issue 3; ISSN 2158-3226
- Publisher:
- American Institute of Physics (AIP)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
Web of Science
Prospects of spintronics based on 2D materials: Spintronics Based on 2D Materials
|
journal | April 2017 |
Charge and spin transport anisotropy in nanopatterned graphene
|
journal | September 2018 |
Charge and Spin Transport Anisotropy in Nanopatterned Graphene | text | January 2018 |
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