2025/03/18 by Xu, Jiyuan, Liu, Xin, Ma, Li +4
#FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
paper · doi:10.48550/arxiv.2503.14017
This study investigates the influence of chemical bonds on the magnetic structure of materials, a less explored area compared to their effect on crystal stability. By analyzing the strength and directionality of chemical bonds using the electron localization function (ELF) and charge density difference (CDD) methods, we examine their impact on magnetic exchange interactions and magnetocrystalline anisotropy under specific interstitial conditions in Mn4X compounds. Our findings indicate that these properties can effectively modulate the magnetic ground state. This work not only elucidates the varied magnetism observed in Mn triangular lattice magnets but also proposes an approach for engineering chiral spin states through chemical bonding manipulation.