Tunable Magnetism and Transport Properties in Nitride MXenes.
basic_science · Level V
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- Record sourced from PubMed, PMID 28558192.
- Also identified by DOI 10.1021/acsnano.7b02578.
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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<sub>2</sub>NT<sub>x</sub> 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<sub>2</sub>NT<sub>x</sub> with different surface terminations (T = O, OH, and F), as well as in Ti<sub>2</sub>NO<sub>2</sub> and Cr<sub>2</sub>NO<sub>2</sub>. High magnetic moments (up to 9 μ<sub>B</sub> 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.