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We use first-principles methods to investigate the effects of collective lattice excitations on the formation of oxygen vacancies in perovskite thin films. We find that phonons play a crucial role on the strain-mediated control of defect…

Materials Science · Physics 2017-05-03 Claudio Cazorla

Epitaxial strain plays a key role in determining the structure and functionality of thin films, with the choice of substrate being traditionally used to control the magnitude of the applied strain. However, even in the large family of…

Materials Science · Physics 2025-12-12 Ruben Hamming-Green , Ewout van der Veer , Beatriz Noheda

Metal-to-insulator phase transitions in complex oxide thin films are exciting phenomena which may be useful for device applications, but in many cases the physical mechanism responsible for the transition is not fully understood. Here we…

Double-perovskite oxides have attracted recent attention due to their attractive functionalities and application potential. In this paper, we demonstrate the effect of dual controls, i.e., the deposition pressure of oxygen (P$_O2$) and…

Strongly Correlated Electrons · Physics 2023-04-27 Z. T. Zhang , H. Yan , Z. Huang , X. Chi , C. J. Li , Z. S. Lim , S. W. Zeng , K. Han , G. J. Omar , K. X. Jin , A. Ariando

The oxygen stoichiometry has a large influence on the physical and chemical properties of complex oxides. Most of the functionality in e.g. catalysis and electrochemistry depends in particular on control of the oxygen stoichiometry. In…

We report the enthalpy of oxygen vacancy formation in thin films of electron-doped SrTiO$_{3}$, under different degrees of epitaxial stress. We demonstrate that both compressive and tensile strain decrease this energy at a very similar…

Materials Science · Physics 2017-05-24 L. Iglesias , A. Sarantopoulos , C. Magen , F. Rivadulla

We investigated SrFeO$_{3-x}$ thin films on a SrTiO$_3$ (001) substrate prepared via pulsed laser epitaxy using an optical spectroscopy technique. The oxygen vacancy level ($x$) was controlled by post-annealing processes at different oxygen…

The oxygen-exchange behavior has been studied in half-doped manganese and cobalt perovskite oxides. We have found that the oxygen diffusivity in Gd_{0.5}Ba_{0.5}MnO_{3-\delta} can be enhanced by orders of magnitude by inducing…

Materials Science · Physics 2007-05-23 A. A. Taskin , A. N. Lavrov , Yoichi Ando

Oxygen isotope substitution is performed in the perovskite cobalt oxide (Pr$_{0.7}$Sm$_{0.3}$)$_{0.7}$Ca$_{0.3}$CoO${_3}$ which shows a sharp spin state transition from the intermediate spin (IS) state to the low spin (LS) state at a…

Strongly Correlated Electrons · Physics 2009-11-11 G. Y. Wang , T. Wu , X. G. Luo , W. Wang , X. H. Chen

By using first-principles methods based on density functional theory we revisited the zero-temperature phase diagram of stoichiometric SrCoO3, a ferromagnetic metallic perovskite that undergoes significant structural, electronic, and…

Materials Science · Physics 2016-12-21 Pablo Rivero , Claudio Cazorla

Using real-time spectroscopic ellipsometry, we directly observed a reversible lattice and electronic structure evolution in SrCoOx (x = 2.5 - 3) epitaxial thin films. Drastically different electronic ground states, which are extremely…

Strongly Correlated Electrons · Physics 2013-08-29 Woo Seok Choi , Hyoungjeen Jeen , Jun Hee Lee , S. S. Ambrose Seo , Valentino R. Cooper , Karin M. Rabe , Ho Nyung Lee

We provide insights into the influence of surface termination on the oxygen vacancy incorporation for the perovskite model material SrTiO3 during annealing in reducing gas environments. We present a novel approach to control to tailor the…

Materials Science · Physics 2019-11-15 Felix V. E. Hensling , Christoph Baeumer , Marc-André Rose , Felix Gunkel , Regina Dittmann

The double perovskite La2NiMnO6 (LNMO) exhibits complex magnetism due to the competition of magnetic interactions that are strongly affected by structural and magnetic inhomogeneities. In this work, we study the effect of oxygen annealing…

Materials Science · Physics 2022-03-15 Jasnamol P. Palakkal , Thorsten Schneider , Lambert Alff

Epitaxial strain offers an effective route to tune the physical parameters in transition metal oxides. So far, most studies have focused on the effects of strain on the bandwidths and crystal field splitting, but recent experimental and…

Strongly Correlated Electrons · Physics 2018-08-22 Bongjae Kim , Peitao Liu , Jan M. Tomczak , Cesare Franchini

The large spin-orbit coupling in iridium oxides plays a significant role in driving novel physical behaviors, including emergent phenomena in the films and heterostructures of perovskite and Ruddlesden-Popper iridates. In this work, we…

It is shown that producing PrBaCo2O5 and Ba0.5Sr0.5Co0.8Fe0.2O3 nanoparticle by a scalable synthesis method leads to high mass activities for the oxygen evolution reaction with outstanding improvements by 10 and 50 times, respectively,…

Perovskite oxides hetero-structures are host to a large number of interesting phenomena such as ferroelectricity and 2D-superconductivity. Ferroelectric perovskite oxides have been of significant interest due to their possible use in…

The slow kinetics of the oxygen reduction reaction (ORR) is one of the key challenges in developing high performance energy devices, such as solid oxide fuel cells. Straining a film by growing on a lattice-mismatched substrate has been a…

With reduced dimensionality, it is often easier to modify the properties of ultra-thin films than their bulk counterparts. Strain engineering, usually achieved by choosing appropriate substrates, has been proven effective in controlling the…

Mesoscale and Nanoscale Physics · Physics 2017-10-31 S. Thomas , B. Kuiper , J. Hu , J. Smit , Z. Liao , Z. Zhong , G. Rijnders , A. Vailionis , R. Wu , G. Koster , J. Xia

We investigated the crystal and electronic structures of ferroelectric Bi4Ti3O12 (BiT) single crystalline thin films site-specifically substituted with LaCoO3 (LCO). The epitaxial films were grown by pulsed laser epitaxy on NdGaO3 and…

Materials Science · Physics 2015-05-13 Woo Seok Choi , Ho Nyung Lee