First-principles study of spiral spin density waves in monolayer MnCl2 Using generalized bloch theorem

Teguh Budi Prayitno; Fumiyuki Ishii

doi:10.7566/JPSJ.88.104705

← Back to search

First-principles study of spiral spin density waves in monolayer MnCl2 Using generalized bloch theorem

Open

Teguh Budi Prayitno, Fumiyuki Ishii

2019 Journal of the Physical Society of Japan Vol. 88 Issue 10 Article Cited by 23 SDG 17SDG 14SDG 16

Abstract

We investigated the spiral spin density waves in the monolayer 1T-MnCl2 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-MnCl2 ©2019 The Physical Society of Japan

Affiliations

Department of Physics, Faculty of Mathematics and Natural Science, Universitas Negeri Jakarta, Kampus A Jl. Rawamangun Muka, Jakarta Timur, 13220, Indonesia; Nanomaterials Research Institute, Kanazawa University, Kanazawa, 920-1192, Japan

View full text (DOI) →

Research at a Glance

Research at a Glance

Topics & SDG Alignment

Collaboration

Author Profile (Selected)

References Overview

Journal & Source

Metadata & Integrity