posted on 2025-06-03, 12:05authored byXiaojing Yao, Jiahui Li, Jie Li, Xiaokang Xu, Zijin Wang, Ailei He, Jinlian Lu, Xiuyun Zhang
Band structures of Mn2AlSe4 monolay with different on-site Hubbard Ueff values;Phonon spectra and AIMD simulation of Mn2GaSe4 and Mn2InSe4 monolayers; Young's modulus and Poisson's ratio, elastic constants, considered magnetic configurations, projected density of states, Angular dependence of MAE, specific heat as a function of temperature and band structures considering SOC effect of Mn2XSe4 monolayers; Wannier charge center (WCC) and anomalous Hall conductivity (AHC) of Mn2GaSe4 and Mn2InSe4 monolayers; Band structures of Mn2XSe4 monolayer without and with considering SOC effect.