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The electronic structure of V2O3 thin films is studied by means of the augmented spherical wave method as based on density functional theory and the local density approximation. We establish that effects of charge redistribution, induced by…

Strongly Correlated Electrons · Physics 2009-09-22 Udo Schwingenschloegl , Raymond Fresard , Volker Eyert

Epitaxial interfaces and superlattices comprised of polar and non-polar perovskite oxides have generated considerable interest because they possess a range of desirable properties for functional devices. In this work, emergent polarization…

The standard Maxwell formulation of the problem of polarized dielectrics suffers from a number of difficulties, both conceptual and practical. These difficulties are particularly significant in the case of liquid interfaces, where the…

Soft Condensed Matter · Physics 2015-06-18 Dmitry V. Matyushov

We analyze theoretically the electrostatic interaction of surface-charged colloids at water interfaces with special attention to the experimentally relevant case of large charge densities on the colloid-water interface. Whereas linear…

Soft Condensed Matter · Physics 2007-11-13 D. Frydel , S. Dietrich , M. Oettel

Two main approaches in particle-based simulations for modeling a charged surface are using explicit, discrete charges and continuum, uniform charges. It is well-known that these two approaches could lead to substantially distinct ionic…

Soft Condensed Matter · Physics 2022-08-02 Jiaxing Yuan , Yanwei Wang

We report on the transport characterization in dark and under light irradiation of three different interfaces: LaAlO3/SrTiO3, LaGaO3/SrTiO3, and the novel NdGaO3/SrTiO3 heterostructure. All of them share a perovskite structure, an…

We studied LaAlO3/SrTiO3 interfaces for varying LaAlO3 thickness by core-level photoemission spectroscopy. In Ti 2p spectra for conducting "n-type" interfaces, Ti3+ signals appeared, which were absent for insulating "p-type" interfaces. The…

Materials Science · Physics 2015-05-28 M. Takizawa , S. Tsuda , T. Susaki , H. Y. Hwang , A. Fujimori

Two-dimensional charge carrier accumulation at oxide heterointerfaces presents a paradigm shift for oxide electronics. Like a capacitor, interfacial charge buildup couples to an electric field across the dielectric medium. To prevent the…

Materials Science · Physics 2018-06-25 Valentino R. Cooper , Houlong L. Zhuang , Lipeng Zhang , P. Ganesh , Haixuan Xu , Paul R. C. Kent

A large variety of transport properties have been observed at the interface between the insulating oxides SrTiO3 and LaAlO3 such as insulation, 2D interface metallicity, 3D bulk metallicity, Kondo scattering, magnetism and…

Strongly Correlated Electrons · Physics 2008-09-08 M. Huijben , A. Brinkman , G. Koster , G. Rijnders , H. Hilgenkamp , D. H. A. Blank

Interfacial charge transfer in oxide heterostructures gives rise to a rich variety of electronic and magnetic phenomena. Designing heterostructures where one of the thin-film components exhibits a metal-insulator transition opens a…

The ion distribution of electrolytes near interfaces with dielectric contrast has important consequences for electrochemical processes and many other applications. To date, most studies of such systems have focused on geometrically simple…

Soft Condensed Matter · Physics 2018-11-14 Huanxin Wu , Honghao Li , Francisco J. Solis , Monica Olvera de la Cruz , Erik Luijten

In polar-oxide interfaces, a certain number of monolayers (ML) is needed for conductivity to appear. This threshold for conductivity is explained by accumulating sufficient electric potential to initiate charge transfer to the interface.…

Superconductivity · Physics 2021-07-21 R. S. Bisht , M. Mograbi , P. K. Rout , G. Tuvia , Y. Dagan , Hyeok Yoon , A. G. Swartz , H. Y. Hwang , L. L. Li , R. Pentcheva

The mechanism responsible for the extraordinary interface conductivity of LaAlO$_{3}$ on SrTiO$_{3}$ and its insulator-metal transition remains controversial. Here, using density functional theory calculations, we establish a comprehensive…

Strongly Correlated Electrons · Physics 2015-07-21 Jun Zhou , Teguh Citra Asmara , Ming Yang , George A. Sawatzky , Yuan Ping Feng , Andrivo Rusydi

Periodic supercell models of electric double layers formed at the interface between a charged surface and an electrolyte are subject to serious finite size errors and require certain adjustments in the treatment of the long-range…

Chemical Physics · Physics 2024-07-10 Thomas Sayer , Chao Zhang , Michiel Sprik

In this paper we use density functional theory combined with dynamical mean-field theory (DFT+DMFT) to study interface effects between thin films of the correlated metal CaVO$_3$ and the two typical substrate materials SrTiO$_3$ and…

Strongly Correlated Electrons · Physics 2021-01-04 Sophie Beck , Claude Ederer

Unprecedented and fascinating phenomena have been recently observed at oxide interfaces between centrosymmetric cubic materials, such as LaAlO$_3$ and SrTiO$_3$, where a polar discontinuity across the boundary gives rise to polarization…

Materials Science · Physics 2014-12-09 Marco Gibertini , Giovanni Pizzi , Nicola Marzari

Nickel-based superconductors provide a long-awaited experimental platform to explore possible cuprate-like superconductivity. Despite similar crystal structure and $d$ electron filling, these systems exhibit several differences. Nickelates…

We show that charge inversion, i.e. interfacial charges attracting counterions in excess of their own nominal charge, is a general effect that takes place in most charged systems next to aqueous solutions with multivalent ions and identify…

Soft Condensed Matter · Physics 2007-05-23 J. Faraudo , A. Travesset

Interfacial charge transfer (ICT) provides a powerful route to engineer electronic phases in correlated oxide heterostructures, yet predictive design principles remain elusive. Here, we systematically investigate superlattices composed of…

Anions generally associate more favorably with the air-water interface than cations. In addition to solute size and polarizability, the intrinsic structure of the unperturbed interface has been discussed as an important contributor to this…

Soft Condensed Matter · Physics 2021-03-25 Stephen J. Cox , Dayton G. Thorpe , Patrick R. Shaffer , Phillip L. Geissler