Electronic and Magnetic Properties of Alloys Based on the Cd3As2 Dirac Semimetal Doped with Mn Atoms in Different Concentrations

Abstract

Theoretical studies predict that the light magnetic doping of Dirac semimetals leads to the occurrence of extraordinary properties and quantum states, including the Weyl semimetal, axionic insulator, topological superconductor, and others. However, thespecific materials that can exhibit these phenomena, as well as the characteristic concentrations of magnetic atoms are still unknown. In this work, the ab initio study of the electronic and magnetic properties of the Cd₃As₂ Dirac semimetal doped isoelectronically with Mn atoms at concentrations of 4, 6, and 8% has been carried out. In the analysis of the results, the main focus has been on the break of the spatial and time symmetry in the alloys, the behavior of the electron spectrum near the top of the Dirac cone, and spin ordering processes in Mn atoms. The results obtained have been compared with the previous theoretical and experimental data and, based on these results, a detailed picture of the effect of isoelectronic magnetic doping on the properties of the Cd₃As₂ Dirac semimetal has been presented.