2023/10/30 by Ahmed Elrashidy, Elrashidy, Ahmed, Jia-An Yan +1 · 1 citation
Engineering · Materials Science · #2D Materials and Applications #Chalcogenide Semiconductor Thin Films #FOS: Physical sciences #Heusler alloys: electronic and magnetic properties #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
paper · pdf · doi:10.48550/arxiv.2310.19735
openalex publication_date 2023/10/30 · openalex created_date 2023/11/01 · openalex updated_date 2026/07/28
We have carried out density-functional theory (DFT) calculations to study the magnetic stability of both ferromagnetic (FM) and anti-ferromagnetic (AFM) states in monolayer 1T-CrTe2. Our results show that the AFM order is lower in energy and thus is the ground state. By tuning the lattice parameters, the AFM order can transition to the FM order, in good agreement with experimental observation. We observe a commensurate SDW alongside the previously predicted CDW, and attribute the AFM order to the SDW. This results in distinct hole and electron Fermi pockets and a pronounced optical anisotropy, suggesting quasi-one-dimensional behavior in this material.