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 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.
Keywords
Cite
@article{arxiv.1910.14278,
title = {First-principles Study of Spiral Spin Density Waves in Monolayer MnCl$_2$ Using Generalized Bloch Theorem},
author = {Teguh Budi Prayitno and Fumiyuki Ishii},
journal= {arXiv preprint arXiv:1910.14278},
year = {2019}
}
Comments
6 pages, 6 Figures