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Rational Design of Two-Dimensional Metallic and Semiconducting Spintronic Materials Based on Ordered Double-Transition-Metal MXenes
Abstract
Two-dimensional (2D) materials that display robust ferromagnetism have been pursued intensively for nanoscale spintronic applications, but suitable candidates have not been identified. Here we present theoretical predictions on the design of ordered double-transition-metal MXene structures to achieve such a goal. On the basis of the analysis of electron filling in transition-metal cations and first-principles simulations, we demonstrate robust ferromagnetism in Ti 2 MnC 2 T x monolayers regardless of the surface terminations (T = O, OH, and F), as well as in Hf 2 MnC 2 O 2 and Hf 2 VC 2 O 2 monolayers. The high magnetic moments (3–4 μB/unit cell) and high Curie temperatures (495–1133 K) of these MXenes are superior to those of existing 2D ferromagnetic materials. Furthermore, semimetal-to-semiconductor and ferromagnetic-to-antiferromagnetic phase transitions are predicted to occur in these materials in the presence of small or moderate tensile in-plane strains (0–3%), which can be externally applied mechanically or internally induced by the choice of transition metals.
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Cites
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 Advances in Oxidation Stable Chemistry of 2D MXenes
Cao, F., Zhang, Y., Wang, H., Khan, K., Tareen, A. K., Qian, W., Zhang, H., & Ågren, H. (2022) · Advanced Materials · doi:10.1002/adma.202107554 · Cited by 648
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
High-Entropy 2D Carbide MXenes: TiVNbMoC 3 and TiVCrMoC 3
Nemani, S. K., Zhang, B., Wyatt, B. C., Hood, Z. D., Manna, S., Khaledialidusti, R., Hong, W., Sternberg, M. G., Sankaranarayanan, S. K. R. S., & Anasori, B. (2021) · ACS Nano · doi:10.1021/acsnano.1c02775 · Cited by 423
Self-citationDeshmukh, K., Kovářík, T., & Khadheer Pasha, S. K. (2020) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2020.213514 · Cited by 282
Metadata
- Authors
- Dong, L., Kumar, H., Anasori, B., Gogotsi, Y., & Shenoy, V. B.
- Venue
- The Journal of Physical Chemistry Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2017-01-05
- Volume
- 8
- Issue
- 2
- Pages
- 422-428
- ISSN
- 1948-7185 (ISSN-L)
- OpenAlex
- W2562898967
- Cited by
- 232
- References
- 1
- FWCI
- 7.13
- Type
- journal article
- Language
- en
- Open access
- closed
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- Dong, L., Kumar, H., Anasori, B., Gogotsi, Y., & Shenoy, V. B. (2017). Rational Design of Two-Dimensional Metallic and Semiconducting Spintronic Materials Based on Ordered Double-Transition-Metal MXenes. The Journal of Physical Chemistry Letters. https://doi.org/10.1021/acs.jpclett.6b02751
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