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Mastery of order-disorder processes in highly non-equilibrium nanostructured oxides has significant implications for the development of emerging energy technologies. However, we are presently limited in our ability to quantify and harness…

Charge carrier injection performed in Pr0.7Ca0.3MnO3 (PCMO) hetero-structure junctions exhibits stable without electric fields and dramatic changes in both resistances and interface barriers, which are entirely different from behaviors of…

Strongly Correlated Electrons · Physics 2009-11-13 Guangcheng Xiong , Yuansha Chen , Liping Chen , Guijun Lian

We report on a systematic study of a number of structurally identical but chemically distinct transition metal oxides in order to determine how the material-specific properties such as the composition and the strain affect the properties at…

We report a study on the interface between polar high-k materials and the Si(001)-(2X1) reconstructed surface with LaAlO3 taken as a prototype material. The construction of the interface is based on the prior growth of metal lines followed…

Materials Science · Physics 2015-06-25 Isabelle Devos , Pierre Boulenc

Recent progress in two-dimensional superconductors with atomic-scale thicknesses is reviewed mainly from the experimental point of view. The superconducting systems treated here involve a variety of materials and forms: elemental-metal…

Superconductivity · Physics 2016-11-17 Takashi Uchihashi

Electronic properties of transition metal oxides at interfaces are influenced by strain, electric polarization and oxygen diffusion. Linear dichroism (LD) x-ray absorption, diffraction, transport and magnetization on thin La0.7Sr0.3MnO3…

We have studied the dependence of metal oxide properties in molecular dynamics (MD) simulations on the polarizability of oxygen ions. We present studies of both liquid and crystalline structures of silica (SiO2), magnesia (MgO) and alumina…

Materials Science · Physics 2012-11-13 Philipp Beck , Peter Brommer , Johannes Roth , Hans-Rainer Trebin

A computational approach for predictive simulations of the nanoscale morphology in the early steps of the formation of the interface between metals and organic molecular semiconductors is presented. Despite the relevance of the…

Materials Science · Physics 2020-01-22 Francesco Mercuri

Doping impurity atoms is a strategy commonly used to tune the functionality of materials including catalysts, semiconductors, and quantum emitters. The location of dopants and their interaction with surrounding atoms could significantly…

Using ab-initio calculations within the framework of Density Functional Theory (DFT), atomic structures and electronic properties of MoS2/HfO2 interface are investigated. The impact of interfacial oxygen concentration on the MoS2/HfO2…

Materials Science · Physics 2014-02-10 Santosh KC , Roberto C. Longo , Robert M. Wallace , Kyeongjae Cho

At crystalline interfaces where a valence mismatch exists, electronic and structural interactions may occur to relieve the polar mismatch leading to the stabilization of non-bulklike phases. We show that spontaneous reconstructions at polar…

Strongly Correlated Electrons · Physics 2019-06-04 Sanaz Koohfar , Alexandru Bogdan Georgescu , Aubrey Penn , James M. LeBeau , Elke Arenholz , Divine Philip Kumah

Correlated electrons in transition metal oxides (TMOs) exhibit a variety of emergent phases. When TMOs are confined to a single-atomic-layer thickness, experiments so far have shown that they usually lose diverse properties and become…

Epitaxial oxide interfaces with broken translational symmetry have emerged as a central paradigm behind the novel behaviors of oxide superlattices. Here, we use scanning transmission electron microscopy to demonstrate a direct, quantitative…

Honeycomb layered oxides are a novel class of nanostructured materials comprising alkali or alkaline earth metals intercalated into transition metal slabs. The intricate honeycomb architecture and layered framework endows this family of…

Materials Science · Physics 2021-10-01 Godwill Mbiti Kanyolo , Titus Masese

Atomically flat interfaces between ternary oxides have chemically different variants, depending on the terminating lattice planes of both oxides. Electronic properties change with the interface termination which affects, for instance,…

Three-dimensional atomic force microscopy (3D-AFM) has been a powerful tool to probe the atomic-scale structure of solid-liquid interfaces. As a nanoprobe moves along the 3D volume of interfacial liquid, the probe-sample interaction force…

The dielectric breakdown at metal-oxide interfaces is a critical electronic device failure mechanism. Electronic tunneling through dielectric layers is a well-accepted explanation for this phenomenon. Theoretical band alignment studies,…

Materials Science · Physics 2016-10-28 Eric Tea , Jianqiu Huang , Celine Hin

Transparent conducting oxides (TCOs) play an essential role in modern optoelectronic devices through their combination of electrical conductivity and optical transparency. We review recent progress in our understanding of multi-component…

Materials Science · Physics 2013-09-18 Aron Walsh , Juarez L. F. Da Silva , Su-Huai Wei

Polar discontinuities and structural changes at oxide interfaces can give rise to a large variety of electronic and ionic phenomena. Related effects have been intensively studied in epitaxial systems, including ferroelectric domain walls…

Understanding the complex chemistry of functional nanomaterials is of fundamental importance. Controlled synthesis and characterization at the atomic level is essential to gain deeper insight into the unique chemical reactivity exhibited by…