Tuning perovskite oxides by strain: Electronic structure, properties, and functions in (electro) catalysis and ferroelectricity

J Hwang, Z Feng, N Charles, XR Wang, D Lee… - Materials Today, 2019 - Elsevier
Complex oxides, such as ABO 3 perovskites, are an important class of functional materials
that exhibit a wide range of physical, chemical, and electrochemical properties, including …

Structure and properties of functional oxide thin films: insights from electronic‐structure calculations

JM Rondinelli, NA Spaldin - Advanced materials, 2011 - Wiley Online Library
The confluence of state‐of‐the‐art electronic‐structure computations and modern synthetic
materials growth techniques is proving indispensable in the search for and discovery of new …

Metallic and insulating oxide interfaces controlled by electronic correlations

HW Jang, DA Felker, CW Bark, Y Wang, MK Niranjan… - Science, 2011 - science.org
The formation of two-dimensional electron gases (2DEGs) at complex oxide interfaces is
directly influenced by the oxide electronic properties. We investigated how local electron …

[HTML][HTML] LaTiO3/KTaO3 interfaces: A new two-dimensional electron gas system

K Zou, S Ismail-Beigi, K Kisslinger, X Shen, D Su… - APL materials, 2015 - pubs.aip.org
We report a new 2D electron gas (2DEG) system at the interface between a Mott insulator,
LaTiO 3, and a band insulator, KTaO 3. For LaTiO 3/KTaO 3 interfaces, we observe metallic …

Temperature and bath size in exact diagonalization dynamical mean field theory

A Liebsch, H Ishida - Journal of Physics: Condensed Matter, 2011 - iopscience.iop.org
Dynamical mean field theory (DMFT), combined with finite-temperature exact
diagonalization, is one of the methods used to describe electronic properties of strongly …

The origin of oxygen in oxide thin films: Role of the substrate

CW Schneider, M Esposito, I Marozau… - Applied Physics …, 2010 - pubs.aip.org
During the growth of oxide thin films by pulsed laser deposition, a strong oxygen substrate-to-
film transfer has been experimentally observed for SrTiO 3 and LaAlO 3 thin films epitaxially …

Tailoring materials for mottronics: excess oxygen doping of a prototypical mott insulator

P Scheiderer, M Schmitt, J Gabel, M Zapf… - Advanced …, 2018 - Wiley Online Library
The Mott transistor is a paradigm for a new class of electronic devices—often referred to by
the term Mottronics—which are based on charge correlations between the electrons. Since …

Effect of disorder on the metal-insulator transition of vanadium oxides: Local versus global effects

JG Ramirez, T Saerbeck, S Wang, J Trastoy, M Malnou… - Physical Review B, 2015 - APS
In this paper we investigate the effect of disorder on highly correlated electron systems,
which exhibit metal-insulator transition (MIT) and structural-phase transition (SPT). We show …

Emerging Two-Dimensional Conductivity at the Interface between Mott and Band Insulators

IV Maznichenko, S Ostanin, D Maryenko, VK Dugaev… - Physical Review Letters, 2024 - APS
Intriguingly, conducting perovskite interfaces between ordinary band insulators are widely
explored, whereas similar interfaces with Mott insulators are still not quite understood. Here …

Tuning the metal-insulator transition in and perovskites by epitaxial strain: A first-principles-based study

G Sclauzero, K Dymkowski, C Ederer - Physical Review B, 2016 - APS
We investigate the effect of epitaxial strain on the Mott metal-insulator transition (MIT) in
perovskite systems with d 1 and d 2 electron configurations of the transition metal (TM) …