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Manipulation of electronic and magnetic properties of M2C (M = Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains
Open accessAbstract
Tuning the electronic and magnetic properties of a material through strain engineering is an effective strategy to enhance the performance of electronic and spintronic devices. In this paper, first-principles calculations based on density functional theory are carried out to investigate the electronic and magnetic properties of M2C(M = Hf, Nb, Sc, Ta, Ti, V, Zr, known as MXenes) subjected to biaxial symmetric mechanical strains. At the strain-free state, all these MXenes exhibit no spontaneous magnetism except for Ti2C and Zr2C which show a magnetic moment of 1.92 and 1.25 μB/unit, respectively. As the tensile strain increases, the magnetic moments of MXenes are greatly enhanced and a transition from nonmagnetism to ferromagnetism is observed for those nonmagnetic MXenes at zero strains. The most distinct transition is found in Hf2C, in which the magnetic moment is elevated to 1.5 μB/unit at a strain of 1.80%. We further show that the magnetic properties of Hf2C are attributed to the band shift mainly composed of Hf(5d) states.
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Citations
Cites
Energy gaps and a zero-field quantum Hall effect in graphene by strain engineering
Guinea, F., Katsnelson, M. I., & Geim, A. K. (2010) · Nature Physics · doi:10.1038/nphys1420 · Cited by 1,913
Cited by
Jiang, X., Kuklin, A. V., Baev, A., Ge, Y., Ågren, H., Zhang, H., & Prasad, P. N. (2020) · Physics Reports · doi:10.1016/j.physrep.2019.12.006 · Cited by 914
Eames, C., & Islam, M. S. (2014) · Journal of the American Chemical Society · doi:10.1021/ja508154e · Cited by 688
Recent progress on 2D magnets: Fundamental mechanism, structural design and modification
Jiang, X., Liu, Q., Xing, J., Liu, N., Guo, Y., Liu, Z., & Zhao, J. (2021) · Applied Physics Reviews · doi:10.1063/5.0039979 · Cited by 445
Ling, C., Shi, L., Ouyang, Y., Chen, Q., & Wang, J. (2016) · Advanced Science · doi:10.1002/advs.201600180 · Cited by 367
Metadata
- Authors
- Zhao, S., Kang, W., & Xue, J.
- Venue
- Applied Physics Letters
- Publisher
- AIP Publishing
- Published
- 2014-03-31
- Volume
- 104
- Issue
- 13
- ISSN
- 0003-6951 (ISSN-L)
- 1077-3118
- OpenAlex
- W1991932248
- Cited by
- 184
- References
- 1
- FWCI
- 5.36
- Type
- journal article
- Language
- en
- Open access
- green
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- Zhao, S., Kang, W., & Xue, J. (2014). Manipulation of electronic and magnetic properties of M2C (M = Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains. Applied Physics Letters. https://doi.org/10.1063/1.4870515
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