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Tuning Noncollinear Spin Structure and Anisotropy in Ferromagnetic Nitride MXenes
Journal article   Open access   Peer reviewed

Tuning Noncollinear Spin Structure and Anisotropy in Ferromagnetic Nitride MXenes

Nathan C Frey, Hemant Kumar, Babak Anasori, Yury Gogotsi and Vivek B Shenoy
ACS nano, v 12(6), pp 6319-6325
26 Jun 2018
PMID: 29883093
url
https://www.osti.gov/biblio/1774203View

Abstract

spintronics magnetic anisotropy DFT MXenes 2D materials noncollinear magnetism
Recent experimental success in the realization of two-dimensional magnetism has invigorated the search for low-dimensional material systems with tunable magnetic anisotropy that exhibit intrinsic long-range ferromagnetic order. Here we report that modifying the surface termination and transition metal in monolayer M NT nitride MXenes gives rise to a rich diversity of noncollinear spin structures and finely tunable magnetocrystalline anisotropy. Based on first-principles simulations, we predict that manipulating the strength of the spin-orbit interaction and electron localization via the chemical degrees of freedom can induce sufficient anisotropy to counteract thermal fluctuations that suppress long-range magnetic order. We find that Ti NO and Mn NF MXenes have continuous O(3) and O(2) spin symmetries, respectively, that may be broken by an applied field, while Cr NO and Mn NO are intrinsic Ising ferromagnets with out-of-plane easy axes and magnetic anisotropy energies up to 63 μeV/atom. These systems also exhibit both gapped and gapless Dirac points near the Fermi level. Our study suggests that nitride MXenes offer a promising avenue for achieving both practical spintronic devices and investigating fundamental spin processes in two-dimensional materials.

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Collaboration types
Domestic collaboration
Web of Science research areas
Chemistry, Multidisciplinary
Chemistry, Physical
Materials Science, Multidisciplinary
Nanoscience & Nanotechnology
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