Chains of atoms embedded into transition metal dichalcogenides as one-dimensional half-metallic magnets
Chains of atoms embedded into transition metal dichalcogenides as one-dimensional half-metallic magnets
Davies, F. H.; Krasheninnikov, A.
Abstract
Quasi-one-dimensional structures, single chains of Pt and Co atoms embedded into mirror twin boundaries in two-dimensional MoS2, have recently been fabricated [Guo et al., Nat. Synth. 1, 245 (2022)]. Using both collinear and noncollinear first-principles calculations, we predict that other transition metals can form similar structures, and that these systems should possess exciting electronic and magnetic properties and specifically exhibit half-metallic electronic behavior. We further analyze the magnetocrystalline anisotropy of these systems and show that they possess unique easy axes and varying strengths of anisotropy, making thus efficient magneti- zation switching possible. We finally discuss the potentials of using single-atom chains embedded in MoS2 and other transition metal dichalcogenides in spintronic devices.
Keywords: 2D materials; Atomic chains; First-principles calculations
Beteiligte Forschungsanlagen
- Ionenstrahlzentrum DOI: 10.17815/jlsrf-3-159
Verknüpfte Publikationen
- DOI: 10.17815/jlsrf-3-159 is cited by this (Id 39036) publication
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Physical Review B 109(2024), 165442
DOI: 10.1103/PhysRevB.109.165442
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