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The local electronic structure of the SrO-terminated SrTiO3(001) surface was explored using scanning tunneling microscopy. At low bias voltages in the empty states, a unidirectional structure with a periodicity of 3 unit cells, superimposed…

Strongly Correlated Electrons · Physics 2015-05-27 Katsuya Iwaya , Ryota Shimizu , Takeo Ohsawa , Tomihiro Hashizume , Taro Hitosugi

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

Complex oxide functionality, such as ferroelectricity, magnetism or superconductivity is often achieved in epitaxial thin-film geometries. Oxygen vacancies tend to be the dominant type of defect in these materials but a fundamental…

Materials Science · Physics 2022-02-23 Moloud Kaviani , Ulrich Aschauer

Using a CO$_2$ laser to directly heat the crystals from the back side, SrTiO$_3$ substrates may be thermally prepared in situ for epitaxy without the need for ex-situ etching and annealing. We find that the formation of large terraces with…

Materials Science · Physics 2018-04-04 Maren Jäger , Ali Teker , Jochen Mannhart , Wolfgang Braun

The durability of passivable metals and alloys is often limited by the stability of the surface oxide film, the passive film, providing self-protection against corrosion in aggressive environments. Improving this stability requires to…

Materials Science · Physics 2019-07-26 Li Ma , Frederic Wiame , Vincent Maurice , Philippe Marcus

SrVO3 (SVO) is a prospective candidate to replace the conventional indium-tin-oxide (ITO) among the new transparent conducting oxide (TCO) generation. In this study, the structural, electrical, and optical properties of SVO thin films, both…

The (001) surfaces of polar perovskites BaTiO$_3$ and PbTiO$_3$ have been studied from first principles at T=0 K. For both cases of polarization, the most stable TiO-terminated interfaces show intrinsic ferroelectricity. In the topmost…

Materials Science · Physics 2008-03-12 M. Fechner , S. Ostanin , I. Mertig

NiO is a promising p-type material for photovoltaics and power electronics, but its temperature limits remain unclear. Using in situ high-temperature X-ray diffraction (HT-XRD) from 30 to 1100 C, we track the structural evolution of NiO…

Materials Science · Physics 2025-12-16 Hunter Ellis , Bobby G. Duersch , Botong Li , Imteaz Rahaman , Jim Pierce , Michael A. Scarpulla , Kai Fu

LaAlO$_{3}$ and NdGaO$_{3}$ thin films of different thickness have been grown by pulsed laser deposition on TiO$_2$-terminated SrTiO$_{3}$ single crystals and investigated by soft X-ray photoemission spectroscopy. The surface sensitivity of…

The effect of growth conditions on the structural and electronic properties of the polar/non-polar LaCrO$_3$/SrTiO$_3$ (LCO/STO) interface has been investigated. The interface is either insulating or metallic depending on growth conditions.…

Materials Science · Physics 2019-06-04 A. H. Al-Tawhid , J. R. Frick , D. B. Dougherty , D. P. Kumah

We investigated the nature of transport and magnetic properties in SrIr0.5Ru0.5O3, (SIRO) which has characteristics intermediate between a correlated non-Fermi liquid state and an itinerant Fermi liquid state, by growing perovskite thin…

Strongly Correlated Electrons · Physics 2015-09-11 Abhijit Biswas , Yong Woo Lee , Sang Woo Kim , Yoon Hee Jeong

Macroscopic properties of materials stem from fundamental atomic-scale details, yet for insulators, resolving surface structures remains a challenge. The basal (0001) plane of ${\alpha}$-Al$_{2}$O$_{3}$ was imaged with noncontact atomic…

We report the results of Hall coefficient R_H and magnetoresistance (MR) measurements on single crystalline samples of Sr3Ru2O7 grown by the floating zone method. R_H was found to be positive over the entire temperature range studied (0.3 -…

Strongly Correlated Electrons · Physics 2010-10-11 Y. Liu , R. Jin , Z. Q. Mao , K. D. Nelson , M. K. Haas , R. J. Cava

A chemical etching method was developed for (110) and (001) NdGaO3 single crystal substrates in order to obtain an atomically flat GaO2-x - terminated surface. Depending on the surface step density the substrates were etched in…

Materials Science · Physics 2012-02-29 V. Leca , D. H. A. Blank , G. Rijnders

The formation of a novel surface reconstruction upon Co deposition on freshly cleaved Ge(111)2x1 surfaces is studied by means of scanning tunneling microscopy (STM) at low temperature. The deposited Co atoms are immobile at substrate…

Materials Science · Physics 2015-06-03 D. A. Muzychenko , K. Schouteden , V. I. Panov , C. Van Haesendonck

$SrVO_3$ (SVO), a model correlated metal and a promising transparent conducting oxide, develops a several-nanometer-thick near-surface region (NSR), rich in $V^{5+}$ species under ambient conditions. This oxidized layer obscures the…

Materials Science · Physics 2025-12-30 Amit Cohen , Jonathan Ludwick , Ward Yahya , Maria Baskin , Lishai Shoham , Tyson C. Back , Lior Kornblum

We present a comprehensive density-functional theory study addressing the adsorption, dissociation and successive diffusion of water molecules on the two regular terminations of SrTiO3(001). Combining the obtained supercell-geometry…

Materials Science · Physics 2015-05-18 Hannes Guhl , Wolfram Miller , Karsten Reuter

Using spin-density functional theory we investigated various possible structures of the hematite (0001) surface. Depending on the ambient oxygen partial pressure, two geometries are found to be particularly stable under thermal equilibrium:…

Materials Science · Physics 2009-10-31 X. -G. Wang , W. Weiss , Sh. K. Shaikhutdinov , M. Ritter , M. Petersen , F. Wagner , R. Schloegl , M. Scheffler

The sheet resistance Rs of Ar+ irradiated SrTiO3 in patterns with a length scale of several microns increases significantly below 40 K in connection with driving currents exceeding a certain threshold. The initial lower Rs is recovered upon…

We report that the surface conductivity of Na$_{2}$IrO$_3$ crystal is extremely tunable by high energy Ar plasma etching and can be tuned from insulating to metallic with increasing etching time. Temperature dependent electrical transport…

Strongly Correlated Electrons · Physics 2017-05-29 Kavita Mehlawat , Yogesh Singh