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Related papers: Structural phases of strained LaAlO3 driven by oct…

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A reversible structural transition of an epitaxial La2/3Sr1/3MnO3 film deposited on the LaAlO3 substrate has been investigated by means of in situ high-resolution transmission electron microscopy (HREM) and electron diffraction, combined…

Strongly Correlated Electrons · Physics 2009-11-07 Q. Zhan , R. Yu , L. L. He , D. X. Li , J. Li , S. Y. Xu , C. K. Ong

Transition-metal heterostructures offer the fascinating possibility of controlling orbital degrees of freedom via strain. Here, we investigate theoretically the degree of orbital polarization that can be induced by epitaxial strain in…

Strongly Correlated Electrons · Physics 2014-08-14 Oleg E. Peil , Michel Ferrero , Antoine Georges

Suppression of superconductivity in favour of a striped phase, and its coincidence with a structural transition from a low-temperature orthorhombic (LTO) to a low-temperature tetragonal (LTT) phase, is a ubiquitous feature of hole-doped…

Superconductivity · Physics 2023-03-07 Christopher Keegan , Mark S. Senn , Nicholas C. Bristowe , Arash A. Mostofi

Using first-principles density functional theory calculations, we examined the ground state property of LaTiO$_3$/LaAlO$_3$ superlattice. Total energy calculations, taking account of the structural distortions, $U$ dependence, and exchange…

Materials Science · Physics 2014-03-13 Alex Taekyung Lee , Myung Joon Han

We carry out first-principles calculations for CaTiO$_3$/BaTiO$_3$ superlattices with epitaxial strain corresponding to growth on a SrTiO$_3$ substrate, and consider octahedral rotations as well as ferroelectric distortions. The…

Materials Science · Physics 2015-05-19 Xifan Wu , Karin M. Rabe , David Vanderbilt

We study the effect of applied strain as a physical control parameter for the phase transitions of Ca(Fe1-xCox)2As2 using resistivity, magnetization, x-ray diffraction and 57Fe M\"ossbauer spectroscopy. Biaxial strain, namely compression of…

Octahedral distortion plays a key role in engineering the physical properties of heterostructures composed of perovskite oxides. We observe a strong in-plane uniaxial magnetic anisotropy in a strain-enabled multiferroic EuTiO3 thin film…

Materials Science · Physics 2015-06-17 X. Ke , T. Birol , R. Misra , J. -H. Lee , B. J. Kirby , D. G. Schlom , C. J. Fennie , J. W. Freeland

In pursuit of rational control of orbital polarization, we present a combined experimental and theoretical study of single unit cell superlattices of the correlated metal LaNiO$_3$ and the band insulator LaAlO$_3$. Polarized x-ray…

Strongly Correlated Electrons · Physics 2012-01-23 J. W. Freeland , Jian Liu , M. Kareev , B. Gray , J. W. Kim , P. Ryan , R. Pentcheva , J. Chakhalian

The effect of uniaxial strain on electronic structure and magnetism in LaMnO$_3$ is studied from a model Hamiltonian that illustrates the competition between the Jahn-Teller, super exchange, and double exchange interactions. We retain in…

Materials Science · Physics 2010-12-07 B. R. K. Nanda , S. Satpathy

We present first-principles calculations of the structural phase behavior of the [1:1] \pzta\ superlattice and the \ptoa\ and \pzoa\ parent compounds as a function of in-plane epitaxial strain. A symmetry analysis is used to identify the…

Materials Science · Physics 2013-05-29 Jeroen L. Blok , Karin M. Rabe , David Vanderbilt , Dave H. A. Blank , Guus Rijnders

Using density functional theory within the LSDA + U method, we investigate the effect of strain on the spin state and magnetic ordering in perovskite lanthanum cobaltite, LaCoO3. We show that, while strain-induced changes in lattice…

Materials Science · Physics 2009-02-18 James M. Rondinelli , Nicola A. Spaldin

The interrelation between the epitaxial strain and oxygen deficiency in La0.7Ca0.3MnO3-{\delta} thin films was studied in terms of structural and functional properties. The films with a thickness of 1000{\AA} were prepared using a PLD…

Materials Science · Physics 2015-06-23 K. Kawashima , G. Logvenov , G. Christiani , H. -U. Habermeier

Using Landau-Ginzburg-Devonshire theory and phase field modeling, we explore the complex interplay between the long-range structural order parameter (oxygen octahedron rotations) and polarization in EuxSr1-xTiO3 thin epitaxial films. In…

We demonstrate that SrRuO3 and CaRuO3 thin films undergo a room temperature structural phase transition driven by the substrate imposed epitaxial biaxial strain. As tensile strain increases, ARuO3 (A=Ca, Sr) films transform from the…

Materials Science · Physics 2009-11-13 Arturas Vailionis , Wolter Siemons , Gertjan Koster

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

We use density-functional theory with the local-density approximation to study the structural and ferroelectric properties of SrTiO$_3$ under misfit strains. Both the antiferrodistortive (AFD) and ferroelectric (FE) instabilities are…

Materials Science · Physics 2009-11-11 Chien-Hung Lin , Chih-Meng Huang , G. Y. Guo

Present study reveals that the free energy landscape of the La5/8-yPryCa3/8MnO3 (LPCMO) system could be modified by elastic strain interaction in the epitaxial thin films. Epitaxial LPCMO thin films of various thicknesses are grown on…

Strongly Correlated Electrons · Physics 2013-09-25 Dileep K. Mishra , V. G. Sathe , R. Rawat , V. Ganesan , Ravi Kumar , T. K. Sharma

We examine the role of an imposed epitaxial strain e in enhancing or depressing the spinodal instability of an alloy thin film. Since the alloy film starts with an imposed strain, phase separation offers a mechanism to relieve it, but only…

Materials Science · Physics 2015-06-17 Arka Lahiri , T. A. Abinandanan , M. P. Gururajan , Saswata Bhattacharyya

The effect of epitaxial strain on the phonon spectra, crystal structure, spontaneous polarization, dielectric, piezoelectric, and elastic properties of (001)-oriented ferroelectric (BaTiO$_3$)$_m$/(SrTiO$_3$)$_n$ superlattices ($m = n =…

Materials Science · Physics 2016-07-11 Alexander I. Lebedev

We present results of combined density functional theory plus dynamical mean-field theory (DFT+DMFT) calculations, which show that the Mott insulator LaTiO3 undergoes an insulator-to-metal transition under compressive epitaxial strain of…

Strongly Correlated Electrons · Physics 2014-04-17 Krzysztof Dymkowski , Claude Ederer