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Understanding doping of quantum materials
Alex Zunger,Oleksandr I. Malyi +1 more
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TLDR
The present review focuses on explaining the main concepts needed for a basic understanding of the doping phenomenology and indeed peculiarities in quantum materials from the perspective of condensed matter theory, with the hope of forging bridges to the chemists that have enabled the synthesis of some of the most interesting compounds in this field.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 semiconductor physics has recently been extended and applied to quantum materials. The present review focuses on explaining the main concepts needed for a basic understanding of the doping phenomenology and indeed peculiarities in quantum materials from the perspective of condensed matter theory, with the hope of forging bridges to the chemists that have enabled the synthesis of some of the most interesting compounds in this field.read more
Citations
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Theory of Doping and Defects in III-V Nitrides
TL;DR: In this paper, first-principles calculations of GaN and AlGaN alloys were performed on the basis of state-of-the-art first principles calculations, and it was shown that nitrogen vacancies are too high in energy to be incorporated during growth.
Metal Insulator Transition
TL;DR: In this paper, the authors focus on Mott insulator, and a simple theoritical way to describe this metal insulator transition (MIT) is the Hubbard Model, which is characterized by the conductivity which will be zero in the insulator phase.
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Tuning the intrinsic catalytic activities of oxygen-evolution catalysts by doping: a comprehensive review
Sivasankara Rao Ede,Zhiping Luo +1 more
TL;DR: In this paper, a review of different doping strategies and associated anodic oxygen evolution reaction (OER) mechanisms of state-of-the-art catalysts, including oxides (noble metal oxides, perovskite oxides and spinel oxides), non-oxides (metal sulfides, metal selenides), metal phosphide, metal nitrides and metal carbides), and carbon-based catalysts (graphene, carbon nanotubes and others).
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Doping in III — V Semiconductors
TL;DR: In this paper, the authors describe the fundamental physical properties of impurities (hydrogenic impurities including screening and high doping effects, deep levels and semiconductor statistics), and the properties of deep centers, which, contrary to shallow levels, do not determine the conductivity but the lifetime of non steady state carriers.
References
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Kostya S. Novoselov,Andre K. Geim,Sergey V. Morozov,Da Jiang,Y. Zhang,S. V. Dubonos,Irina V. Grigorieva,A. A. Firsov +7 more
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TL;DR: In this paper, a new hybrid density functional based on a screened Coulomb potential for the exchange interaction is proposed, which enables fast and accurate hybrid calculations, even of usually difficult metallic systems.