Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting properties, and tunable topological states in two-dimensional rare-earth metal dinitrides
Abstract
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. Additionally, 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.
- Authors:
-
[2];
[2];
[4];
[5];
[1]
- Hebei Univ. of Technology, Tianjing (China)
- Uppsala Univ. (Sweden)
- Henan Agricultural University, Zhengzhou (China)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Yunnan University, Kunming (China); Univ. of Antwerp (Belgium)
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE; National Natural Science Foundation of China (NSFC)
- OSTI Identifier:
- 1840196
- Grant/Contract Number:
- AC05-00OR22725; 12004097; 22005087
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 105; Journal Issue: 2; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; edge states; electronic structure; magnetic anisotropy; spin-orbit coupling; 2-dimensional systems
Citation Formats
Yu, Yawei, Chen, Xin, Liu, Xiaobiao, Li, Jia, Sanyal, Biplab, Kong, Xiangru, Peeters, François M., and Li, Linyang. Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting properties, and tunable topological states in two-dimensional rare-earth metal dinitrides. United States: N. p., 2022.
Web. doi:10.1103/physrevb.105.024407.
Yu, Yawei, Chen, Xin, Liu, Xiaobiao, Li, Jia, Sanyal, Biplab, Kong, Xiangru, Peeters, François M., & Li, Linyang. Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting properties, and tunable topological states in two-dimensional rare-earth metal dinitrides. United States. https://doi.org/10.1103/physrevb.105.024407
Yu, Yawei, Chen, Xin, Liu, Xiaobiao, Li, Jia, Sanyal, Biplab, Kong, Xiangru, Peeters, François M., and Li, Linyang. Thu .
"Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting properties, and tunable topological states in two-dimensional rare-earth metal dinitrides". United States. https://doi.org/10.1103/physrevb.105.024407. https://www.osti.gov/servlets/purl/1840196.
@article{osti_1840196,
title = {Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting properties, and tunable topological states in two-dimensional rare-earth metal dinitrides},
author = {Yu, Yawei and Chen, Xin and Liu, Xiaobiao and Li, Jia and Sanyal, Biplab and Kong, Xiangru and Peeters, François M. and Li, Linyang},
abstractNote = {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. Additionally, 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.},
doi = {10.1103/physrevb.105.024407},
journal = {Physical Review B},
number = 2,
volume = 105,
place = {United States},
year = {Thu Jan 06 00:00:00 EST 2022},
month = {Thu Jan 06 00:00:00 EST 2022}
}
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