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Spurred by the increasing needs in electrochemical energy storage devices, the electrode/electrolyte interface has received a lot of interest in recent years. Molecular dynamics simulations play a proeminent role in this field since they…

Materials Science · Physics 2021-05-17 Laura Scalfi , Thomas Dufils , Kyle Reeves , Benjamin rotenberg , Mathieu Salanne

We present a unified ab-initio study of electronic and optical properties of TiO2 rutile and anatase phases, with a combination of Density Functional Theory and Many Body Perturbation Theory techniques. The consistent treatment of…

First principles calculations reveal that adding a metallic overlayer on LaAlO3/SrTiO3(001) eliminates the electric field within the polar LaAlO3 film and thus suppresses the thickness-dependent insulator-to-metal transition observed in…

Materials Science · Physics 2012-03-23 V. G. Ruiz López , R. Arras , W. E. Pickett , R. Pentcheva

We report studies of ferroelectricity in ultra-thin perovskite films with realistic electrodes. The results reveal stable ferroelectric states in thin films less than 10 \AA thick with polarization normal to the surface. Under short-circuit…

Materials Science · Physics 2007-05-23 Na Sai , Alexie M. Kolpak , Andrew M. Rappe

The tremendous amount of wasted heat from solar radiation and industry dissipation has motivated the development of thermoelectric concepts that directly convert heat into electricity. The main challenge in practical applications for…

Applied Physics · Physics 2021-03-30 Dan Zhao , Alois Würger , Xavier Crispin

Even though the term `organic electronics' evokes rather organic devices, a significant part of its scope deals with physical properties of `active elements' such as organic films and interfaces. Examination of the film growth and the…

Materials Science · Physics 2014-06-03 Ján Ivančo

Experimental results on the metal-insulator transition and related phenomena in strongly interacting two-dimensional electron systems are discussed. Special attention is given to recent results for the strongly enhanced spin susceptibility,…

Strongly Correlated Electrons · Physics 2016-11-18 A. A. Shashkin , S. V. Kravchenko

Amorphous oxide thin films play a fundamental role in state-of-the art interferometry experiments, such as gravitational wave detectors where these films compose the high reflectance mirrors of end and input masses. The sensitivity of these…

This paper presents the effect of different cooling rate after annealing on structural and electrical properties of TiO2 thin films. Titanium dioxide thin film was deposited on a silicon substrate using DC magnetron technique. After…

Applied Physics · Physics 2020-01-08 Shokoufeh Asalzadeh , Kiomars Yasserian

Experimental results on the metal-insulator transitions and the anomalous properties of strongly interacting two-dimensional electron systems are reviewed and critically analyzed. Special attention is given to recent results for the…

Strongly Correlated Electrons · Physics 2009-09-29 A. A. Shashkin

By performing first-principles calculations on four capacitor structures based on BaTiO3 and PbTiO3, we determine the intrinsic interfacial effects that are responsible for the destabilization of the polar state in thin-film ferroelectric…

Materials Science · Physics 2011-03-03 Massimiliano Stengel , David Vanderbilt , Nicola A. Spaldin

Electronic correlations beyond static mean-field theories are of fundamental importance in describing the properties of complex materials - such as transition-metal oxides - where the low-energy physics is driven by localized d or f…

Strongly Correlated Electrons · Physics 2025-03-17 Mario Caserta , Tommaso Chiarotti , Marco Vanzini , Nicola Marzari

The goal of this work is to report a systematic and balanced review of the progress made in recent years on the high-pressure behavior of iodates, a group of materials with multiple technological applications and peculiar behaviors under…

Materials Science · Physics 2023-03-29 Akun Liang , Robin Turnbull , Daniel Errandonea

Electrical characteristics of a Co/TiO_x/Co resistive memory device, fabricated by two different methods are reported. In addition to crystalline TiO_2 layers fabricated via conventional atomic layer deposition (ALD), an alternative method…

Metal mixed polymers are a cheap and effective way to produce flexible metals and superconductors. As part of an on-going effort to learn how to tune the properties of these systems with ion implantation, we present a study of the…

Materials Science · Physics 2009-06-15 Andrew P. Stephenson , Ujjual Divakar , Adam P. Micolich , Paul Meredith , Ben J. Powell

As symbolized by the Nobel Prize in Physics 2016, "topology" has been recognized as an essential standpoint to understand and control the physics of condensed matter. This concept may be spreading even into application areas such as novel…

Strongly Correlated Electrons · Physics 2018-03-09 Masaki Uchida , Masashi Kawasaki

The marriage between a two-dimensional layered material (2DLM) and a complex transition metal oxide (TMO) results in a variety of physical and chemical phenomena that would not have been achieved in either material alone. Interesting recent…

Materials Science · Physics 2019-05-09 Kyeong Tae Kang , Jeongmin Park , Dongseok Suh , Woo Seok Choi

Ir-based materials have drawn much attention due to the observation of insulating phase believed to be driven by spin-orbit coupling while Ir 5$d$ states are expected to be weakly correlated due to their large orbital extensions. IrO$_2$, a…

Two-dimensional (2D) materials have received considerable attention as possible electrodes in Li-ion batteries (LIBs), although a deeper understanding of the Li adsorption behavior as well as broad screening of the materials space is still…

Materials Science · Physics 2022-03-22 Sheng Gong , Shuo Wang , Taishan Zhu , Xi Chen , Jeffrey C. Grossman

The presence of 2D electron gases at surfaces or interfaces in oxide thin films remains a hot topic in condensed matter physics. In particular, BaBiO3 appears as a very interesting system as it was theoretically proposed that its (001)…

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