Executive Summary : | The study of interplay of magnetism and topology is a fast-growing research area in the condensed matter physics. Magnetic topological materials are fertile grounds to study novel quantum states like quantum anomalous Hall (QAH) state, axion insulators and Majorana fermions. Despite theoretical predictions of suitable materials for magnetic topological insulators (MTIs), experimental realization of magnetic atom doped TIs is limited due to easily destroyable QAH state. In this context, intrinsic MTIs and heterostructures of TIs with magnetic materials are promising routes to realize magnetic topological insulators. Heterostructures offer advantage via tuning the thickness and changing the magnetic configurations. We propose to search for magnetic topological insulators and topological semi metals using density function theory based first principles calculations for (i) heterostructures of topological insulators, predicted recently by us, and magnetic monolayers of transition metal atoms; (ii) intrinsic magnetic topological insulator in magnetic Heusler and Half Heusler compounds by exploring hidden topological phases in them and (iii) magnetic atom doped topological insulator, Mn doped strained CH3NH3PbI3, here we have recently shown that strained CH3NH3PbI3 is a topological insulator. Lastly, it would be interesting to study the effect of electron-electron correlations, important in magnetic materials, on the band topology. |