First-principles Study of Spiral Spin Density Waves in Monolayer MnCl${}_2$ Using Generalized Bloch Theorem

Abstract

We investigated the spiral spin density waves in the monolayer 1T-MnCl${}_2$ for a set of spiral vectors based on first-principles calculations. The magnetic ground states were evaluated by means of the generalized Bloch theorem within the linear combination of pseudo-atomic orbitals. To reach our purpose, a flat spiral configuration was constructed for the Mn magnetic atom by fixing the direction of its magnetic moment. We confirmed that the ground state was a spiral ground state. We also clarified that a phase transition from a spiral ground state to the other ground states, such as the ferromagnetic state or the antiferromagnetic state, appears when introducing the hole-electron doping. Therefore, we justify that introducing the hole-electron doping tunes the phase transition in the monolayer 1T-MnCl${}_2$.

arXiv comment6 pages, 6 Figures

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Cited by in corpus (5)

• Carrier-induced Phase Transition in Metal Dichlorides XCl${}_2$ (X: Fe, Co, and Ni)
• Applied electric field on zigzag graphene nanoribbons: reduction of spin stiffness and appearance of spiral spin density waves
• Controlling phase transition in monolayer metal diiodides XI${}_2$ (X: Fe, Co, and Ni) by carrier doping
• Goodenough-Kanamori-Anderson rules in 2D magnet: A chemical trend in MCl2 with M=V, Mn, and Ni
• Electric-field-induced spin spiral state in bilayer zigzag graphene nanoribbons