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We have successfully calculated the electronic and structural properties of chromia (Cr_2O_3) in the Local Spin Density Approximation (LSDA). We predict a transformation from the corundum to the Rh_2O_3(II) structure around 15 GPa in the…

Materials Science · Physics 2009-10-31 Alexander Yu. Dobin , Wenhui Duan , Renata M. Wentzcovitch

Caviglia et al. [Nature (London) 456, 624 (2008)] have found that the superconducting LaAlO_3 / SrTiO_3 interface can be gate modulated. A central issue is to determine the principal effect of the applied electric field. Using…

Superconductivity · Physics 2015-05-13 C. Bell , S. Harashima , Y. Kozuka , M. Kim , B. G. Kim , Y. Hikita , H. Y. Hwang

The crystal and magnetic structure of LaTiO3 ~ has been studied by x-ray and neutron diffraction techniques using nearly stoichiometric samples. We find a strong structural anomaly near the antiferromagnetic ordering, T$_N$=146 K. In…

Strongly Correlated Electrons · Physics 2009-11-10 M. Cwik , T. Lorenz , J. Baier , R. Mueller , G. Andre , F. Bouree , F. Lichtenberg , A. Freimuth , E. Mueller-Hartmann , M. Braden

In this work, we present a detailed theoretical investigation of the electronic and magnetic properties of ferromagnetic slabs and clusters deposited on SrTiO$\_3$ via first-principles, with a particular emphasis on the magneto-crystalline…

Materials Science · Physics 2016-04-13 Alexander Smogunov , Cyrille Barreteau , Dongzhe Li

The two-dimensional electron gas occurring between the band insulators SrTiO$_3$ and LaAlO$_3$ continues to attract considerable interest, due to the possibility of dynamic control over the carrier density, and the ensuing phenomena such as…

Materials Science · Physics 2017-12-13 A. J. H. van der Torren , Z. Liao , C. Xu , N. Gauquelin , C. Yin , J. Aarts , S. J. van der Molen

We investigate the effect of epitaxial strain on [001]-oriented LaAlO3 using first-principles density functional calculations. We find a series of structural phase transitions between states characterized by distinct patterns of tilting of…

Materials Science · Physics 2010-11-22 Alison J. Hatt , Nicola A. Spaldin

Diverse phenomena emerge at the interface between band insulators LaAlO3 and SrTiO3, such as superconductivity and ferromagnetism, showing an opportunity for potential applications as well as bringing fundamental research interests.…

Layered transition-metal compounds with controllable magnetic behaviors provide many fascinating opportunities for the fabrication of high-performance magneto-electric and spintronic devices. The tuning of their electronic and magnetic…

The influence of hydrostatic pressure and ab-plane strain on the magnetic structure of FeTe is investigated from first principles. The results of calculations reveal a phase transition from antiferromagnetic double-stripe ordering at…

Superconductivity · Physics 2014-02-11 A. Ciechan , M. J. Winiarski , M. Samsel-Czekała

LaAlO3/SrTiO3 structures showing high mobility conduction have recently aroused large expectations as they might represent a major step towards the conception of all-oxide electronics devices. For the development of these technological…

Alloys with a first-order magnetic transition are central to solid-state refrigeration technology, sensors and actuators, or spintronic devices. The discontinuous nature of the transition in these materials is a consequence of the coupling…

We have investigated the magnetotransport properties of La0.7Sr0.3MnO3/BaTiO3 superlattices, grown on SrTiO3 substrate by pulsed laser deposition technique, both with current-in-plane and current-perpendicular-to-the-plane directions.…

Materials Science · Physics 2009-11-11 P. Murugavel , W. Prellier

We report the connection between the stacking order and magnetic properties of bilayer CrI$_3$ using first-principles calculations. We show that the stacking order defines the magnetic ground state. By changing the interlayer stacking order…

Materials Science · Physics 2018-11-19 Nikhil Sivadas , Satoshi Okamoto , Xiaodong Xu , Craig. J. Fennie , Di Xiao

The resistivity as a function of temperature, magnetic field and its orientation for atomically flat SrTiO3\LaAlO3 interfaces with carrier densities of ~3*10^13 cm^-2 is reported. At low magnetic fields superconductivity is observed below…

Strongly Correlated Electrons · Physics 2010-03-26 M. Ben Shalom , C. W. Tai , Y. Lereah , M. Sachs , E. Levy , D. Rakhmilevitch , A. Palevski , Y. Dagan

Synchrotron X-ray powder diffraction experiments reveal that the transition from a magnetic intermediate spin (IS) state to a nonmagnetic low-spin (LS) ground state in LaCoO3 normally observed when cooling, manifests itself under pressure…

Materials Science · Physics 2009-11-07 T. Vogt , J. A. Hriljac , N. C. Hyatt , P. Woodward

The electronic structure of the perovskite LaCoO$_3$ for different spin states of Co ions was calculated in the LDA+U approach. The ground state was found to be a nonmagnetic insulator with Co ions in a low-spin state. Somewhat higher in…

Strongly Correlated Electrons · Physics 2008-02-03 M. A. Korotin , S. Yu. Ezhov , I. V. Solovyev , V. I. Anisimov , D. I. Khomskii , G. A. Sawatzky

We explore the magnetically-ordered ground state of the isovalently-substituted Mott-insulator Y$_{1-x}$La$_{x}$TiO$_{3}$ for $x$ $\leq$ 0.3 via single crystal growth, magnetometry, neutron diffraction, x-ray magnetic circular dichroism…

Magnetization and x-ray diffraction have been measured on polycrystalline samples of LaCo$_{0.8-y}$Rh$_{0.2}$Ga$_{y}$O$_{3}$ for $0 \leq y \leq 0.15$ in order to understand the spin state of Co$^{3+}$ through the Ga$^{3+}$ substitution…

Strongly Correlated Electrons · Physics 2012-08-08 Shinichiro Asai , Noriyasu Furuta , Ryuji Okazaki , Yukio Yasui , Ichiro Terasaki

The effect of grain size on structural, magnetic and transport properties in electron-doped manganites La0.9Te0.1MnO3 has been investigated. All samples show a rhombohedral structure with the space group at room temperature. It shows that…

Strongly Correlated Electrons · Physics 2009-11-10 J. Yang , B. C. Zhao , R. L. Zhang , Y. Q. Ma , Z. G. Sheng , W. H. Song , Y. P. Sun

A current challenge in the field of magnetoelectric multiferroics is to identify systems that allow a controlled tuning of states displaying distinct magnetoelectric responses. Here we show that the multiferroic ground state of the…

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