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Related papers: Electrically driven octahedral rotations in SrTiO3…

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Negative charge transfer $AB$O$_3$ oxides may undergo electronic metal--insulator transitions (MIT) concomitant with a dilation and contraction of nearly rigid octahedra. On both sides of the MIT are in-phase or out-of-phase (or both)…

Materials Science · Physics 2015-06-15 Antonio Cammarata , James M. Rondinelli

Ferroic transition metal oxides, which exhibit spontaneous elastic, electrical, magnetic or toroidal order, exhibit functional properties that find use in ultrastable solid-state memories to sensors and medical imaging technologies. To…

Materials Science · Physics 2015-03-20 Andrew T. Mulder , Nicole A. Benedek , James M. Rondinelli , Craig J. Fennie

With reduced dimensionality, it is often easier to modify the properties of ultra-thin films than their bulk counterparts. Strain engineering, usually achieved by choosing appropriate substrates, has been proven effective in controlling the…

Mesoscale and Nanoscale Physics · Physics 2017-10-31 S. Thomas , B. Kuiper , J. Hu , J. Smit , Z. Liao , Z. Zhong , G. Rijnders , A. Vailionis , R. Wu , G. Koster , J. Xia

The perovskite ruthenates (ARuO3, A = Ca, Ba, or Sr) exhibit unique properties owing to a subtle interplay of crystal structure and electronic-spin degrees of freedom. Here, we demonstrate an intriguing continuous tuning of crystal symmetry…

Composites of ferroelectric and paraelectric perovskites have attracted a lot of attention due to their application potential in energy storage as well as novel computing and memory devices. So far the main focus of research has been on…

Materials Science · Physics 2025-07-23 Sheng-Han Teng , Chinwendu Anabaraonye , Anna Grünebohm

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 report first-principles calculations on the coupling between epitaxial strain, polarization, and oxygen octahedra rotations in monodomain (PbTiO$_{3}$)$_{n}$/(SrTiO$_{3}$)$_{n}$ superlattices. We show how the interplay between (i) the…

Materials Science · Physics 2015-05-28 Pablo Aguado-Puente , Pablo García-Fernández , Javier Junquera

A complete solid solution series between the t2g^4 perovskite ferromagnet SrRuO3 and the diamagnetic t2g^6 perovskite LaRhO3 has been prepared. The evolution with composition x in (SrRuO3)(1-x)(LaRhO3)(x) of the crystal structure and…

Materials Science · Physics 2012-10-03 Phillip T. Barton , Ram Seshadri , Matthew J. Rosseinsky

Several families of layered perovskite oxide ferroelectrics exhibit a coupling between polarization and structural order parameters, such as octahedral rotation distortions. This coupling provides opportunities for novel electric…

Materials Science · Physics 2023-03-08 Nabaraj Pokhrel , Elizabeth A. Nowadnick

The discovery of high-mobility two-dimensional electron gas and low carrier density superconductivity in multiple SrTiO$_3$-based heterostructures has stimulated intense interest in the surface properties of SrTiO$_3$. The recent discovery…

Mesoscale and Nanoscale Physics · Physics 2024-05-31 Cui Ding , Wenfeng Dong , Xiaotong Jiao , Zhiyu Zhang , Guanming Gong , Zhongxu Wei , Lili Wang , Jin-Feng Jia , Qi-Kun Xue

Strong piezoelectricity in the perovskite-type PbZr(1-x)TixO3 (PZT) and Pb(Zn1/3Nb2/3)O3-PbTiO3 (PZN-PT) systems is generally associated with the existence of a morphotropic phase boundary (MPB) separating regions with rhombohedral and…

Materials Science · Physics 2009-11-07 D. E. Cox , B. Noheda , G. Shirane , Y. Uesu , K. Fujishiro , Y. Yamada

Despite the technological significance of the tetragonal PbTiO3 for the piezoelectric transducer industry, its high pressure behaviour is quite controversial as two entirely different scenarios, involving pressure induced (1) morphotropic…

The perovskite-like compounds ACu3Ru4O12 (A=Na,Ca,Sr,La,Nd) are studied by means of density functional theory based electronic structure calculations using the augmented spherical wave (ASW) method. The electronic properties are strongly…

Materials Science · Physics 2009-11-10 U. Schwingenschloegl , V. Eyert , U. Eckern

Polarization hysteresis loops, x-ray diffraction (XRD) and temperature dependent dielectric constant under different electric fields for <110> oriented 0.7 Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 single crystals were measured. The field-induced phase…

Materials Science · Physics 2007-05-23 Ke-Pi Chen , Xiao-Wen Zhang , Fei Fang , Hao-Su Luo

We use a combination of symmetry arguments and first-principles calculations to explore the connection between structural distortions and ferroelectricity in the perovskite family of materials. We explain the role of octahedral rotations in…

Materials Science · Physics 2013-08-01 Nicole A. Benedek , Craig J. Fennie

Light-matter interaction allows to achieve non-equilibrium states that are otherwise inaccessible. Motivated by recent experiments that report ferroelectricity -- and even multiferroicity -- in the prototypical diamagnetic band insulator…

Materials Science · Physics 2026-02-25 Andri Darmawan , Markus E. Gruner , Rossitza Pentcheva

We present low temperature magnetoresistance measurements of Ar-irradiated SrTiO3 under an applied electrostatic field. The electric field, applied through a back gate bias, modulates both the mobility and sheet density, with a greater…

Materials Science · Physics 2009-09-16 J. H. Ngai , Y. Segal , F. J. Walker , S. Ismail-Beigi , K. Le Hur , C. H. Ahn

X-ray absorption spectra of oxide systems Ba_{1-x}K_xBiO_3 and BaPbO_3 above Bi- and Pb-L3 absorption edges were investigated. It was shown that oxygen ions move in double-well potential and their oscillations are correlated with charge…

Superconductivity · Physics 2007-05-23 A. P. Menushenkov , K. V. Klementev

A comparative analysis of the structural phase transitions of EuTiO3 and SrTiO3 (at TS = 282 and 105 K, respectively) is made on the basis of phonon-dispersion and density functional calculations. The phase transition of EuTiO3 is predicted…

Other Condensed Matter · Physics 2015-05-30 Jerry L. Bettis , Myung-Hwan Whangbo , Jürgen Köhler , Annette Bussmann-Holder , A. R. Bishop

The link between the crystal distortions of the perovskite structure and the magnetic exchange interaction, the single-ion anisotropy (SIA) and the Dzyaloshinsky-Moriya (DM) interaction are investigated by means of density-functional…

Materials Science · Physics 2015-06-05 Carlo Weingart , Nicola Spaldin , Eric Bousquet