Mott p-n junctions in layered materials
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TLDR
In this article, a dynamical layer theory was proposed to estimate the charge redistribution at the final step from minimization of a function of the layer fillings, in the spirit of Thomas-Fermi theory.Abstract:
The p-n junction has provided the basis for the semiconductor-device industry. Investigations of p-n junctions based on Mott insulators is still in its infancy. Layered Mott insulators, such as the cuprates or other transition metal-oxides, present a special challenge since strong in-plane correlations are important. Here we model the planes carefully using plaquette Cellular Dynamical Mean Field Theory with an exact diagonalization solver. The energy associated with inter-plane hopping is neglected compared with the long-range Coulomb interaction that we treat in the Hartree-Fock approximation. Within this new approach, "Dynamical Layer Theory", the charge redistribution is obtained at the final step from minimization of a function of the layer fillings. A simple analytical description of the solution, in the spirit of Thomas-Fermi theory, reproduces quite accurately the numerical results. Various interesting charge reconstructions can be obtained by varying the Fermi energy differences between both sides of the junction. One can even obtain quasi-two dimensional charge carriers at the interface, in the middle of a Mott insulating layer. The density of states as a function of position does not follow the simple band bending picture of semiconductors.read more
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Engineered Mott ground state in a LaTiO3+δ/LaNiO3 heterostructure
Yanwei Cao,Xiaoran Liu,Michael Kareev,Debraj Choudhury,Debraj Choudhury,Srimanta Middey,Derek Meyers,Jong-Woo Kim,Philip Ryan,John W. Freeland,J. Chakhalian +10 more
TL;DR: In this article, a prototypical superlattice composed of a correlated metal LaNiO3 and a doped Mott insulator LaTiO(3+δ) was synthesized, which exhibits interfacial charge transfer from Ti to Ni sites, giving rise to an insulating ground state with orbital polarization and e(g) orbital band splitting.
Journal ArticleDOI
A hole inversion layer at the BiVO4/Bi4V2O11 interface produces a high tunable photovoltage for water splitting.
Wayler S. dos Santos,Mariandry Rodriguez,André S. Afonso,João Paulo de Mesquita,Lucas L. Nascimento,Antonio Otavio T. Patrocinio,Adilson C. Silva,Luiz C.A. Oliveira,José Domingos Fabris,Márcio C. Pereira +9 more
TL;DR: It is demonstrated that a hole inversion layer induced by a ferroelectric Bi4V2O11 perovskite at the n-type BiVO4 interface creates a virtual p-n junction with high photovoltage, which is suitable for water splitting.
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GaN/VO2 heteroepitaxial p-n junctions: Band offset and minority carrier dynamics
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Journal ArticleDOI
GaN / VO2 heteroepitaxial p-n junctions: Band offset and minority carrier dynamics
You Zhou,Shriram Ramanathan +1 more
TL;DR: In this paper, a band diagram based on the conventional band bending picture is proposed to explain the evolution of the apparent barier height from electrical measurements and it suggests that the work function of VO2 decreases by 0.2 eV when it goes through the insulator to metal transtion, in qualitative agreement with Kelvin force microscopy measurements reported in literature.
Journal ArticleDOI
Nonequilibrium dynamical mean-field simulation of inhomogeneous systems
Martin Eckstein,Philipp Werner +1 more
TL;DR: In this article, the authors extend the nonequilibrium dynamical mean field formalism to inhomogeneous systems by adapting the ''real-space'' DMFT method to Keldysh Green's functions.