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Abstract

Angle-resolved photoemission spectroscopy (ARPES) has emerged as a powerful tool for directly probing the electronic structure of solids, offering invaluable insights into quasiparticle dynamics, band topology, and many-body interactions. As an experimental technique, ARPES provides energy and momentum-resolved spectral functions that are often interpreted in conjunction with density functional theory (DFT) calculations. In this talk, I will demonstrate how experimental observations from angle-resolved photoemission measurements can be effectively correlated with density functional theory (DFT) simulations to uncover the underlying electronic properties of quantum materials. Drawing from my research, I will present case studies on topological insulators, nodal-line semimetals (NLS), and a variety of two-dimensional (2D) materials such as β-Sn, hexagonal boron nitride (h-BN), and their heterostructures with topological insulators. These examples highlight the synergy between theory and experiment in understanding band inversion, spin-orbit coupling effects, and dimensionality-driven phase transitions. Through these studies, I aim to showcase how experimentalists can leverage DFT not only to interpret ARPES data but also to guide material design and discovery.