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Ferromagnetism with...
Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting properties, and tunable topological states in two-dimensional rare-earth metal dinitrides
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- Yu, Yawei (författare)
- Hebei Univ Technol, Sch Sci, Tianjin 300401, Peoples R China.
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- Chen, Xingqi (författare)
- Uppsala universitet,Molekylära verktyg
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- Liu, Xiaobiao (författare)
- Henan Agr Univ, Sch Sci, Zhengzhou 450002, Peoples R China.
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- Li, Jia (författare)
- Hebei Univ Technol, Sch Sci, Tianjin 300401, Peoples R China.
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- Sanyal, Biplab (författare)
- Uppsala universitet,Materialteori
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- Kong, Xiangru (författare)
- Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, POB 2009, Oak Ridge, TN 37831 USA.
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- Peeters, Francois M. (författare)
- Yunnan Univ, Dept Phys & Astron, Key Lab Quantum Informat Yunnan Prov, Kunming 650091, Yunnan, Peoples R China.;Univ Antwerp, Dept Phys, Groenenborgerlaan 171, B-2020 Antwerp, Belgium.
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- Li, Linyang (författare)
- Hebei Univ Technol, Sch Sci, Tianjin 300401, Peoples R China.
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Hebei Univ Technol, Sch Sci, Tianjin 300401, Peoples R China Molekylära verktyg (creator_code:org_t)
- American Physical Society, 2022
- 2022
- Engelska.
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Ingår i: Physical Review B. - : American Physical Society. - 2469-9950 .- 2469-9969. ; 105:2
- Relaterad länk:
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https://doi.org/10.1...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- Since the successful synthesis of bulk single crystals MoN2 and ReN2, which have a layered structure, transition-metal dinitrides have attracted considerable attention in recent years. Here, we focus on rare-earth metal (Rem) elements, and propose seven stable Rem dinitride monolayers with a 1T structure, namely, 1T-RemN2. We use first-principles calculations, and find that these monolayers have a ferromagnetic ground state with in-plane magnetization. Without spin-orbit coupling (SOC), the band structures are spin-polarized with Dirac points at the Fermi level. Remarkably, the 1T-LuN2 monolayer exhibits an isotropic magnetocrystalline anisotropy energy in the xy plane with in-plane magnetization, indicating easy tunability of the magnetization direction. When rotating the magnetization vector in the xy plane, we propose a model that accurately describes the variation of the SOC band gap and the two possible topological states (Weyl-like semimetal and Chern insulator states) whose properties are tunable. The Weyl-like semimetal state is a critical point between the two Chern insulator states with opposite sign of the Chern numbers (+/- 1). The nontrivial band gap (up to 60.3 meV) and the Weyl-like semimetal state are promising for applications in spintronic devices.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
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