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Unravelling emergent quantum phenomena from first-principles

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Quantum phenomena emerging from the interplay of charge, orbital, spin, and lattice degrees of freedom of the electron have revolutionised our understanding of the collective behaviour of particles in solids, forming a new paradigm in condensed matter physics, commonly known as quantum materials. Topological phase transitions, quantum confinement, quasiparticle interferences, and quantum coherence in transport are a few examples of phenomena in which such microscopically delicate interplays define the macroscopic fate of the host materials. In this talk, I will overview our recent first-principles studies on emergent quantum phenomena in various systems subject to disorders and magnetic anisotropies. In particular, I will discuss disorder-induced multifractality in superconductivity and topological phase transitions in two-dimensional materials. I will also show how energetical proximity between local magnetic centres and charge carriers can lead to novel valley-spin locking mechanisms and topological phases in transition metal dichalcogenide and perovskite systems. Insights gained from our studies provide anew route to the rational design of quantum materials with advanced functionalities.

This talk is part of the Theory of Condensed Matter series.

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