Calculation of the capacitance–voltage characteristics of a metal–insulator‐correlated oxide capacitor with dynamical mean‐field theory

Abstract

Accurate modeling is essential for the development of electronic devices. While there are many theoretical approaches based on band theory and the effective mass approximation which are capable of simulating the operation of conventional semiconductor devices, these methods cannot be applied to devices based on strongly correlated electron materials because band theory fails to capture strongly correlated physics. Here the electric potential across a metal–insulator‐correlated oxide structure with a strongly correlated oxide layer is computed by numerical integration of the Poisson equation as the oxide approaches a metal‐to‐insulator transition (MIT). DMFT is used to calculate the charge density as a function of potential in the strongly correlated oxide layer. C–V curves are produced on the basis of the charge density data.

Charge redistribution in correlated heterostuctures within nonequilibrium real-space dynamical mean-field theory

“…Another challenging aspect of such systems that was investigated is the capacitance of multilayer systems made from correlated materials. [18][19][20] Due to the local Hubbard and long-range Coulomb interaction present in these systems, charge redistribution takes place. [20][21][22] The equilibrium situation was addressed, e.g., in Refs.…”

Electric-field-driven Mott metal-insulator transition in correlated thin films: An inhomogeneous dynamical mean-field theory approach

“…1,2,35,36 DMFT-based approaches were recently proposed for the study of "Mott p-n junctions" 37 and correlated capacitors. 38 In these approaches each layer was approximated by a two-dimensional bulk system with the appropriate value of the chemical potential, and a Poisson solver was used to study the charge redistribution in different regimes.…”