Understanding Doping of Quantum Materials

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 widegap 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.

Tuning the intrinsic catalytic activities of oxygen-evolution catalysts by doping: a comprehensive review

“…Incorporation of foreign atoms that do not produce free carries is not considered as doping. 34 In the following sections, we will elaborate on the influences of doping in the following common catalytic systems, including various oxides (noble metal oxides, perovskite oxides, spinel oxides, spinel oxides, hydroxides and other oxides), non-oxides (metal sulfides, metal selenides, metal phosphides, metal nitrides, and metal carbides), and carbon-based catalysts. Fig.…”

Epitaxial ferroelectric interfacial devices

“…A classic example of the changes in the electronic properties of complex oxides with doping is that of the doped manganites AMnO 3 , where the average Mn valency can be modulated by varying the amount of di-or trivalent cations occupying the A sites of the perovskite structure via chemical substitution. [591][592][593][594][595] One drawback of this approach to modulating the charge carrier density is that it is irreversible and involves local changes in the crystal structure induced by the different atomic size of the substituting element. 596 Another approach to modulating the charge carrier is through ionic doping, 597-599…”

Ab-initio study of paramagnetic defects in Mn and Cr doped transparent polycrystalline Al2O3 ceramics

“…1 and Eq. 2, the defect formation energies are highly dependent on furnace atmosphere, temperature, pressure and presence of other complex or charged defects in the crystal, which can change the equilibrium fermi level and thus significantly impact the defect equilibria [41][42][43]. Given that calculation of complex and charged defects are essential for; plotting Kroger-Vink diagrams, estimating defect concentrations and finding solubility limits of dopants, it is not possible to accurately deduce such information based on calculations done in this study, and as the main purpose of this paper is to find the induced magnetic moments by the defects mentioned above, we have refrained from doing a detailed analysis of defect equilibria.…”