Understanding doping of quantum materials
Alex Zunger, Oleksandr I. Malyi

TL;DR
This paper reviews how doping affects quantum materials, highlighting unique phenomena and theoretical understanding, and aims to bridge condensed matter physics with chemistry for advancing quantum material research.
Contribution
It provides a comprehensive overview of doping phenomena in quantum materials, extending traditional semiconductor doping theories to novel compounds with quantum behaviors.
Findings
Extended atomistic electronic structure theory to quantum materials
Identified peculiar doping behaviors in wide-gap oxides and heavy element compounds
Bridged condensed matter theory and chemistry in understanding doping phenomena
Abstract
Doping mobile carriers into ordinary semiconductors such as Si, GaAs, and ZnO was the enabling step in the electronic and optoelectronic revolutions. The recent emergence of a class of "Quantum Materials", where uniquely quantum interactions between the components produce specific behaviors such as topological insulation, unusual magnetism, superconductivity, spin-orbit-induced and magnetically-induced spin splitting, polaron formation, and transparency of electrical conductors, pointed attention to a range of doping-related phenomena associated with chemical classes that differ from the traditional semiconductors. These include wide-gap oxides, compounds containing open-shell d electrons, and compounds made of heavy elements yet having significant band gaps. The atomistic electronic structure theory of doping that has been developed over the past two decades in the sub-field of…
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