Magnetic ground state of semiconducting transition-metal trichalcogenide monolayers
By N. Sivadas, M. Daniels, R. Swendsen, S. Okamoto, Di Xiao. 2015
305 citations recorded by the source corpus.
Layered transition-metal trichalcogenides with the chemical formula $AB{X}_{3}$ have attracted recent interest as potential candidates for two-dimensional magnets. Using first-principles calculations within density functional theory, we investigate the magnetic ground states of monolayers of Mn- and Cr-based semiconducting trichalcogenides. We show that the second and third nearest-neighbor exchange interactions (${J}_{2}$ and ${J}_{3}$) between magnetic ions, which have been largely overlooked in previous theoretical studies, are crucial in determining the magnetic ground state. Specifically, we find that monolayer ${\mathrm{CrSiTe}}_{3}$ is an antiferromagnet with a zigzag spin texture due to significant contribution from ${J}_{3}$, whereas ${\mathrm{CrGeTe}}_{3}$ is a ferromagnet with a Curie temperature of 106 K. Monolayers of Mn compounds (${\mathrm{MnPS}}_{3}$ and ${\mathrm{MnPSe}}_{3}$) always show antiferromagnetic N\'eel order. We identify the physical origin of various exchange interactions, and demonstrate that strain can be an effective knob for tuning the magnetic properties. Possible magnetic ordering in the bulk is also discussed. Our study suggests that $AB{X}_{3}$ can be a promising platform to explore two-dimensional magnetic phenomena.
Subfields: Electronic, Optical and Magnetic Materials, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/4bea2bbd8b169711b1adaaa713da5dd6c59201d8
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In Electronic, Optical and Magnetic Materials
In Materials Chemistry
- Mauricio Terrones
- Steven G. Louie
- H. Terrones
- Xingxing Li
- Vincent Meunier
- Di Xiao
- Michael S. Strano
- Saptarshi Das
Citations in the corpus
- Probing and controlling magnetic states in 2D layered magnetic materials (2019, unknown): “Furthermore, theoretical studies 8,10,11 have suggested that not only the nearest-neighbour super-exchange interaction is important in these materi als but also both the second-nearest-neighbour and the third-nearest-neighbour interactions can be significant.”
- First principles design of spintronics materials (2016, result): “Note that, one of the theoretical studies calculated monolayer CrSiTe3 to be an antiferromagnetic semiconductor [113], contrary to other studies.”
- Recent Advances in Two-Dimensional Materials beyond Graphene. (2015, background): “strain can be an effective knob for tuning themagnetic properties of these compounds.(417,418) With so many”