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Topological phonon states in crystalline materials have attracted significant research interests due to their importance for fundamental physical phenomena, yet their implication on phonon thermal transport remains largely unexplored. Here,…

Computational Physics · Physics 2024-03-29 Xin Jin , Da-shuai Ma , Peng Yu , Xianyong Ding , Rui Wang , Xuewei Lv , Xiaolong Yang

This work reports on temperature-induced out-diffusion and concentration decay of the prominent intrinsic point defect VNi (nickel vacancy) in the wide-gap p-type semiconductor nickel oxide (NiO). VNi can easily be introduced into NiO thin…

Materials Science · Physics 2020-04-08 Robert Karsthof , Arthur Markus Anton , Friedrich Kremer , Marius Grundmann

This paper shows that the oxygen vacancies observed experimentally in thin films of LaCoO3 subject to tensile strain are thermodynamically stable according to ab initio calculations. By using DFT calculations, we show that oxygen vacancies…

Materials Science · Physics 2017-10-11 Adolfo O Fumega , Victor Pardo

We studied the influence of oxygen on the electronic trap states in a pentacene thin film. This was done by carrying out gated four-terminal measurements on thin-film transistors as a function of temperature and without ever exposing the…

Materials Science · Physics 2009-12-21 Wolfgang L. Kalb , Kurt Mattenberger , Bertram Batlogg

We have succeeded in growing epitaxial films of rocksalt VOx on MgO(001) substrates. The oxygen content as a function of oxygen flux was determined using 18O2-RBS and the vanadium valence using XAS. The upper and lower stoichiometry limits…

Strongly Correlated Electrons · Physics 2009-09-29 A. D. Rata , A. R. Chezan , T. Hibma , M. W. Haverkort , L. H. Tjeng , H. H. Hsieh , H. J. Lin , C. T. Chen

Enhanced conductivity at ferroelectric domain walls in BiFeO$_3$ has been widely observed, yet the microscopic origins of this effect, including electronic contributions from domain-wall defects, are incompletely understood at the atomistic…

Materials Science · Physics 2025-07-17 Guo-Dong Zhao , Ismaila Dabo , Long-Qing Chen

In this paper we report the determination of oxygen diffusion coefficient for optimally doped manganite thin films of La0.85Na0.15MnO3 (LNMO). The study was performed by means of isothermal conductivity measurements on two different…

Materials Science · Physics 2007-05-23 Lorenzo Malavasi , Giorgio Flor

Fast oxygen transport materials are necessary for a range of technologies, including efficient and cost-effective solid oxide fuel cells, gas separation membranes, oxygen sensors, chemical looping devices, and memristors. Strain is often…

Materials Science · Physics 2016-07-18 Tam Mayeshiba , Dane Morgan

We have investigated the electronic properties of epitaxial orthorhombic SrIrO3 thin-films under compressive strain. The metastable, orthorhombic SrIrO3 thin-films are synthesized on various substrates using an epi-stabilization technique.…

Strongly Correlated Electrons · Physics 2014-11-18 J. H. Gruenewald , J. Nichols , J. Terzic , G. Cao , J. W. Brill , S. S. A. Seo

X-ray analysis of ferroelectric thin layers of Ba1/2Sr1/2TiO3 with different thickness reveals the presence of internal strain gradients across the film thickness and allows us to propose a functional form for the internal strain profile.…

Materials Science · Physics 2009-11-10 G. Catalan , B. Noheda , J. McAneney , L. Sinnamon , J. M. Gregg

ITO thin films were deposited on glass substrates by d.c. magnetron sputtering with varied oxygen flow rates. It was found that the optical absorption decreases and optical absorption edge has blue shifts with the increasing oxygen flow…

Materials Science · Physics 2013-11-26 Aqing Chen , Kaigui Zhu , Huicai Zhong , Qingyi Sha , Guanglu Ge

Obtaining high-quality thin films of 5d transition metal oxides is essential to explore the exotic semimetallic and topological phases predicted to arise from the combination of strong electron correlations and spin-orbit coupling. Here, we…

Strongly Correlated Electrons · Physics 2016-08-08 D. J. Groenendijk , N. Manca , G. Mattoni , L. Kootstra , S. Gariglio , Y. Huang , E. van Heumen , A. D. Caviglia

Transition metal oxide thin films show versatile electrical, magnetic, and thermal properties which can be tailored by deliberately introducing macroscopic grain boundaries via polycrystalline solids. In this study, we focus on the…

We use density functional theory plus dynamical mean-field theory (DFT+DMFT) to study multiple control parameters for tuning the metal-insulator transition (MIT) in CaVO$_3$ thin films. We focus on separating the effects resulting from…

Strongly Correlated Electrons · Physics 2018-02-14 Sophie Beck , Gabriele Sclauzero , Uday Chopra , Claude Ederer

This work reports a pulsed laser-assisted synthesis, detailed structural characterization, and study of plasmonic properties of three sets of TiN/TiNO thin films with high electron density. The first two sets of TiN films were grown at 600C…

The sensitivity of materials properties, particularly those of perovskite oxides, to epitaxial strain has been exploited to great advantage to create materials with new or enhanced properties. Although it has certainly been recognized that…

Materials Science · Physics 2020-09-09 Ethan T. Ritz , Nicole A. Benedek

Tuning electronic properties through strain engineering of metal oxides is an important step toward understanding electrochemical and catalytic reactions in energy storage and conversion devices. Traditionally, strain engineering studies…

Materials Science · Physics 2020-02-04 Kyoung-Won Park , Chang Sub Kim

Since recently, some interests appeared in TiO as a thin film coating material due to its promising physical properties. Moreover, because of the existence of intrinsic vacancies, TiO demonstrates memristive properties. To use these…

Materials Science · Physics 2021-10-26 S. Vahid Hosseini , Mohaddeseh Abbasnejad , Mohammad Reza Mohammadizadeh

We use first-principles calculations to investigate the interplay between strain and the charge state of point defect impurities in complex oxides. Our work is motivated by recent interest in using defects as active elements to provide…

Materials Science · Physics 2016-08-03 Ulrich Aschauer , Nicola A. Spaldin

We theoretically show that the coupling of inhomogeneous strains to the Dirac fermions of three-dimensional topological insulators (3DTI) in thin film geometries results in the occurrence of phase transitions between topologically distinct…

Mesoscale and Nanoscale Physics · Physics 2019-09-25 Raffaele Battilomo , Niccoló Scopigno , Carmine Ortix