Electronic Structure Investigation of Topological Phases of Quantum Materials

Abstract

My prime doctoral research area is to investigate the electronic structure of topological phases of quantum materials, including bulk, 2D material, and heterostructure. newlineMy research interest broadly includes predicting topological materials along with newlinetheir major nontrivial signatures and tuning their electronic properties via chemical newlinedoping, uniform hydrostatic pressure, etc., using first-principles density functional newlinetheory (DFT) and supported by low energy few bands model Hamiltonian. In pursuit newlineof our interests, we observed a topological phase transition in the chalcopyrite system newlineunder the influence of uniform hydrostatic pressure. Our study delved into the newlinecoexistence of type-I and type-II Weyl crossing in another Mn-based chalcopyrite. newlineFurthermore, we explored the effect of spin-orbit coupling in Hg-based materials, newlinewhich played a crucial role in driving the observed topological phases. We are newlineinvolved in exploring the tuning of Weyl crossing in cobalt-based full Heusler through newlinea chemical doping route. Another notable finding was a rare AFM half-metal double newlineperovskite that exhibited significant anomalous Hall conductivity in the presence of newlineWeyl crossing. Additionally, we engaged in designing a van der Waals heterostructure newlineand made an intriguing recognition of an intrinsic anomalous Hall effect driven by newlineBerry curvature. newline