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Effect of oxygen off-stoichiometry on the structural and magnetic properties of La0.15Sr0.85MnO3-d (d = 0.02,0.14) has been studied employing low-temperature x-ray diffraction, calorimetry, electrical-transport and magnetization. The nearly…

Materials Science · Physics 2014-02-27 Aga Shahee , R. J. Chaudhari , R. Rawat , A. M. Awasthi , N. P. Lalla

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

We present a survey of the structural and magnetic properties of submonolayer transition metal dioxides on the (001) surfaces of the heavy face-centered cubic (fcc) noble metals Ir and Pt performed by spin-averaged scanning tunneling…

Materials Science · Physics 2019-10-08 M. Schmitt , C. H. Park , P. Weber , A. Jäger , J. Kemmer , M. Vogt , M. Bode

Strontium titanate (SrTiO$_{3}$, STO) stands out as a promising material for various electronic applications thanks to its exceptional dielectric properties. Molecular beam epitaxy is one of the few techniques which allows epitaxial growth…

Epitaxial single-crystalline CsPbBr3 perovskite films on mica, prepared ex-situ, are explored using a low-temperature scanning tunneling microscope (STM) by probing the unoccupied electronic states of their surface in ultra-high vacuum…

Materials Science · Physics 2026-02-20 Eric Duverger , Vladimir Bruevich , Vitaly Podzorov , Damien Riedel

First-principles total-energy calculations are carried out for (001) surfaces of the cubic perovskite ATiO3 compounds PbTiO3, BaTiO3, and SrTiO3. Both AO-terminated and TiO2-terminated surfaces are considered, and fully-relaxed atomic…

Materials Science · Physics 2015-06-25 B. Meyer , J. Padilla , David Vanderbilt

Strontium titanate, SrTiO3, a widely used substrate material for electronic oxide thin film devices, has provided many interesting features. In a combination with a similar oxide material, LaAlO3, it has recently received great interest. It…

Materials Science · Physics 2013-05-29 Alexey S. Kalabukhov , Robert Gunnarsson , Johan Borjesson , Eva Olsson , Tord Claeson , Dag Winkler

The novel electronic properties emerging at interfaces between transition metal oxides, and in particular the discovery of conductivity in heterostructures composed of LaAlO$_3$ (LAO) and SrTiO$_3$ (STO) band insulators, have generated new…

Large scale first-principles calculations based on density functional theory (DFT) employing two different methods (atomic orbitals and plane wave basis sets) were used to study the energetics, geometry, the electronic charge redistribution…

Materials Science · Physics 2010-05-27 Vitaly Alexandrov , Sergei Piskunov , Yuri F. Zhukovskii , Eugene A. Kotomin , Joachim Maier

We have investigated the effects of low-energy ion beam irradiations using argon clusters on the chemical and electronic properties of LaAlO3/SrTiO3 (LAO/STO) heterointerfaces by combining X-ray photoelectron spectroscopy (XPS) and…

Strongly Correlated Electrons · Physics 2018-01-24 Karl Ridier , Damien Aureau , Bruno Bérini , Yves Dumont , Niels Keller , Jackie Vigneron , Arnaud Etcheberry , Arnaud Fouchet

We report on the magnetic, resistive, and structural studies of perovskite La$_{1/3}$Sr$_{2/3}$CoO$_{3-\delta}$. By using the relation of synthesis temperature and oxygen partial pressure to oxygen stoichiometry obtained from…

Materials Science · Physics 2009-11-11 S. Kolesnik , B. Dabrowski , J. Mais , M. Majjiga , O Chmaissem , A. Baszczuk , J. D. Jorgensen

The ability to generate a change of the lattice parameter in a near-surface layer of a controllable thickness by ion implantation of strontium titanate is reported here using low energy He+ ions. The induced strain follows a distribution…

Materials Science · Physics 2015-05-20 S. Autier-Laurent , O. Plantevin , P. Lecoeur , B. Decamps , A. Gentils , C. Bachelet , O. Kaitasov , G. Baldinozzi

Strontium titanate SrTiO$_3$ is one of the most studied and paradigmatic transition metal oxides. Recently, a breakthrough has been achieved with the fabrication of freestanding SrTiO$_3$ ultrathin films down to the monolayer limit.…

Materials Science · Physics 2023-03-28 Lorenzo Varrassi , Peitao Liu , Cesare Franchini

Ultrathin transition metal dichalcogenides (TMDCs) of Mo and W show great potential for digital electronics and optoelectronic applications. Whereas early studies were limited to mechanically exfoliated flakes, the large-area synthesis of…

We present an ab initio study of the (001) interfaces between two insulating perovskites, the polar LaAlO3 and the nonpolar SrTiO3. We observe an insulating-to-metallic transition above a critical LaAlO3 thickness. We explain that the high…

Materials Science · Physics 2009-11-13 Hanghui Chen , Alexie M. Kolpak , Sohrab Ismail-Beigi

We present self-consistent ab-initio total-energy and electronic-structure calculations on stoichiometric and non-stoichiometric TiO2 (110) surfaces. Scanning tunneling microscopy (STM) topographs are simulated by calculating the local…

Materials Science · Physics 2009-10-30 Kwok-On Ng , David Vanderbilt

The diverse functionality emerging at oxide interfaces calls for a fundamental understanding of the mechanisms and control parameters of electronic reconstructions. Here, we explore the evolution of electronic phases in…

Strongly Correlated Electrons · Physics 2015-01-19 David Doennig , Rossitza Pentcheva

Developing reliable methods for modulating the electronic structure of the two-dimensional electron gas (2DEG) in SrTiO3 is crucial for utilizing its full potential and inducing novel properties. Here, we show that relatively simple surface…

Control of oxygen stoichiometry in complex oxides via topotactic phase transition is an interesting avenue to not only modifying the physical properties, but utilizing in many energy technologies, such as energy storage and catalysts.…

Materials Science · Physics 2015-12-22 Hyoungjeen Jeen , Ho Nyung Lee

The influence of oxygen stoichiometry on the uranium local environment is explored in epitaxial single crystal uranium oxide thin films grown by DC magnetron sputtering. Through post-growth annealing, the stoichiometry of as-grown UO$_{2}$…