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The (001)SrTiO3 crystal surface can be engineered to display a self-organized pattern of well-separated and nearly pure single-terminated SrO and TiO2 regions by high temperature annealing in oxidizing atmosphere. By using surface sensitive…

Over the last two decades, scanning tunnelling microscopy (STM) has become one of the most important ways to investigate the structure of crystal surfaces. STM has helped achieve remarkable successes in surface science such as finding the…

Materials Science · Physics 2009-11-10 Cristian V. Ciobanu , Cristian Predescu

Reversible topotactic transitions between oxygen-vacancy-ordered structures in transition metal oxides provide a promising strategy for active manipulation of material properties. While transformations between various oxygen-deficient…

Materials Science · Physics 2020-05-06 Sampo Inkinen , Lide Yao , Sebastiaan van Dijken

We have investigated the structural phase transitions of the transition metal oxide perovskites SrTiO$_{3}$, LaAlO$_{3}$ and LaTiO$_{3}$ using the screened hybrid density functional of Heyd, Scuseria and Ernzerhof (HSE06). We show that…

Strongly Correlated Electrons · Physics 2015-06-12 Fedwa El-Mellouhi , Edward N. Brothers , Melissa J. Lucero , Ireneusz W. Bulik , Gustavo E. Scuseria

Comparison between single- and the poly-crystalline structures provides essential information on the role of long-range translational symmetry and grain boundaries. In particular, by comparing single- and poly-crystalline transition metal…

Surface diffusion on metal oxides is key in many areas of materials technology, yet it has been scarcely explored at the atomic scale. This work provides phenomenological insights from scanning tunneling microscopy on the link between…

Materials Science · Physics 2023-08-29 Giada Franceschi , Michael Schmid , Ulrike Diebold , Michele Riva

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

We show that reflection high-energy electron diffraction (RHEED) can be used as a highly sensitive tool to track surface and resulting film stoichiometry in adsorption-limited molecular beam epitaxy of (001) SrTiO3 thin films. Even under…

Materials Science · Physics 2015-03-17 Adam P. Kajdos , Susanne Stemmer

Motivated by the experimental synthesis of two-dimensional (2D) perovskite materials, we study the stability of 2D SrTiO$_3$ from first principles. We find that the TiO$_6$ octahedral rotations emerge in 2D SrTiO$_3$ with a rotation angle…

Materials Science · Physics 2023-10-27 Shota Ono , Yu Kumagai

Scanning tunneling spectroscopy suggests the formation of a two dimensional electron gas (2DEG) on the TiO2 terminated surface of undoped SrTiO3 single crystals annealed at temperature lower than 400 {\deg}C in ultra high vacuum conditions.…

Cross-sectional scanning tunnelling microscopy and spectroscopy (XSTM/S) were used to map out the band alignment across the complex oxide interface of La$_{2/3}$Ca$_{1/3}$MnO$_{3}$/Nb-doped SrTiO$_{3}$. By a controlled cross-sectional…

Mesoscale and Nanoscale Physics · Physics 2010-07-06 TeYu Chien , Jian Liu , Jacques Chakhalian , Nathan P. Guisinger , John W. Freeland

One prominent structural feature of ionic liquids near surfaces is formation of alternating layers of anions and cations. However, how this layering responds to applied potential is poorly understood. We focus on the structure of…

This study examines the application of transition metal-doped SrTiO3 in photovoltaic technologies, such as photocatalysis. The core objective is to evaluate how different dopants influence the structural and electronic characteristics of…

Materials Science · Physics 2024-10-15 Zdeněk Jansa , Lucie Prušáková , Štěpánka Jansová , Pavel Calta , Pavol Šutta , Ján Minár

We present a density-functional theory study addressing the energetics and electronic structure properties of isolated oxygen adatoms at the SrTiO3(001) surface. Together with a surface lattice oxygen atom, the adsorbate is found to form a…

Materials Science · Physics 2015-05-13 Hannes Guhl , Wolfram Miller , Karten Reuter

The evolution of the atomic structure of LaAlO3 grown on SrTiO3 was investigated using surface x-ray diffraction in conjunction with model-independent, phase-retrieval algorithms between two and five monolayers film thickness. A…

Perovskite oxides attract increasing attention due to their broad potential in many applications. Understanding their surfaces is challenging, though, because the ternary composition of the bulk allows for multiple stable surface…

Materials Science · Physics 2019-03-27 Igor Sokolovic , Michael Schmid , Ulrike Diebold , Martin Setvin

We report surface reconstruction (RC)-dependent growths of SrTiO3 and SrVO3 on a SrTiO3 (001) surface with two different coexisting surface RCs, namely (2x1) and c(6x2). Up to the coverage of several layers, epitaxial growth was forbidden…

Materials Science · Physics 2011-04-25 Soo-hyon Phark , Young Jun Chang , Tae Won Noh

We investigated with synchrotron x-ray diffraction and reflectometry the formation of structural domains in the near-surface region of single crystalline SrTiO3 (001) substrates with Y0.6Pr0.4Ba2Cu3O7 / La2/3Ca1/3MnO3 superlattices grown on…

The properties of single-crystal SrTiO$_{3}$ substrates and homoepitaxial SrTiO$_{3}$ films grown by pulsed laser deposition have been compared, in order to understand the loss of interfacial conductivity when more than a critical thickness…

The many surface reconstructions of (110)-oriented lanthanum--strontium manganite (La$_{0.8}$Sr$_{0.2}$MnO$_3$, LSMO) were followed as a function of the oxygen chemical potential ($\mu_\text{O}$) and the surface cation composition.…

Materials Science · Physics 2021-09-29 Giada Franceschi , Michael Schmid , Ulrike Diebold , Michele Riva