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Tunable Magnetism and Transport Properties in Nitride MXenes
Abstract
Two-dimensional materials with intrinsic and robust ferromagnetism and half-metallicity are of great interest to explore the exciting physics and applications of nanoscale spintronic devices, but no such materials have been experimentally realized. In this study, we predict several M 2 NT x nitride MXene structures that display these characteristics based on a comprehensive study using a crystal field theory model and first-principles simulations. We demonstrate intrinsic ferromagnetism in Mn 2 NT x with different surface terminations (T = O, OH, and F), as well as in Ti 2 NO 2 and Cr 2 NO 2 . High magnetic moments (up to 9 μ B per unit cell), high Curie temperatures (1877 to 566 K), robust ferromagnetism, and intrinsic half-metallic transport behavior of these MXenes suggest that they are promising candidates for spintronic applications, which should stimulate interest in their synthesis.
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Cites
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets
Chhowalla, M., Shin, H. S., Eda, G., Li, L.-J., Loh, K. P., & Zhang, H. (2013) · Nature Chemistry · doi:10.1038/nchem.1589 · Cited by 10,034
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
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
Djire, A., Wang, X., Xiao, C., Nwamba, O. C., Mirkin, M. V., & Neale, N. R. (2020) · Advanced Functional Materials · doi:10.1002/adfm.202001136 · Cited by 104
Metadata
- Authors
- Kumar, H., Frey, N. C., Dong, L., Anasori, B., Gogotsi, Y., & Shenoy, V. B.
- Venue
- ACS Nano
- Publisher
- American Chemical Society (ACS)
- Published
- 2017-06-07
- Volume
- 11
- Issue
- 8
- Pages
- 7648-7655
- ISSN
- 1936-0851 (ISSN-L)
- 1936-086X
- OpenAlex
- W2616995170
- Cited by
- 397
- References
- 2
- FWCI
- 13.55
- Type
- journal article
- Language
- en
- Open access
- closed
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- Kumar, H., Frey, N. C., Dong, L., Anasori, B., Gogotsi, Y., & Shenoy, V. B. (2017). Tunable Magnetism and Transport Properties in Nitride MXenes. ACS Nano. https://doi.org/10.1021/acsnano.7b02578
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