First-principles investigation of transition of magnetic structures of ordered and disordered HfMnSb 2 and TiMnSb 2

We investigated the magnetic structure of HfMnSb 2 and TiMnSb 2 with first-principles calculations. We assumed ordered and disordered crystal structures for both compounds and investigated the transition of the magnetic structure. We theoretically confirmed that the helical magnetic order is stable...

Full description

Saved in:
Bibliographic Details
Published in:Japanese Journal of Applied Physics 2024-02, Vol.63 (2), p.25501
Main Authors: Yamashita, Shogo, Sakuma, Akimasa
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:We investigated the magnetic structure of HfMnSb 2 and TiMnSb 2 with first-principles calculations. We assumed ordered and disordered crystal structures for both compounds and investigated the transition of the magnetic structure. We theoretically confirmed that the helical magnetic order is stable in HfMnSb 2 , while the conical magnetic order was observed experimentally. Additionally, assuming a chemically ordered crystal structure in TiMnSb 2 stabilizes the antiferromagnetic order. However, when the degree of order gradually decreases, the system exhibits spin-spiral density wave states and finally attains ferromagnetic order when the degree of order is 0. This trend is consistent with the experimentally measured results. We also found that the distortion of the lattice constants in TiMnSb 2 compared to that of HfMnSb 2 also plays an important role for the ferromagnetic order.
ISSN:0021-4922
1347-4065
DOI:10.35848/1347-4065/ad1af9