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Oxide growth with semiconductor-like accuracy has led to atomically precise thin films and interfaces that exhibit a plethora of phases and functionalities not found in the oxide bulk material. This yielded spectacular discoveries such as…

Atomically engineered oxide multilayers and superlattices display unique properties responsive to the electronic and atomic structures of the interfaces. We have followed the growth of ferroelectric BaTiO3 on SrRuO3 electrode with in situ…

We report the existence of a two-dimensional electron system (2DES) at the (001) surface of CaTiO3. Using angle-resolved photoemission spectroscopy, we find a hybridization between the d_xz and d_yz orbitals, not observed in the 2DESs at…

The recent observation of a ferroelectric-like structural transition in metallic LiOsO$_3$ has generated a flurry of interest in the properties of polar metals. Such materials are thought to be rare because free electrons screen out the…

Materials Science · Physics 2016-02-29 Nicole A. Benedek , Turan Birol

Light-induced mechanical deformations in single-domain (PbTiO$_{3}$)$_{n}$/(SrTiO$_{3}$)$_{m}$ superlattices were simulated using first-principle calculations. By varying the chemical fraction PbTiO$_{3}$, we discover that these…

Materials Science · Physics 2024-08-02 Carmel Dansou , Charles Paillard , Laurent Bellaiche

The unequal electronic occupation of localized orbitals (orbital polarization), and associated lowering of symmetry and degeneracy, play an important role in the properties of transition metal oxides. Here, we examine systematically the…

Materials Science · Physics 2021-03-10 Alex Taekyung Lee , Hyowon Park , Sohrab Ismail-Beigi

BaBiO$_3$ is a charged ordered Peierls-like perovskite well known for its superconducting properties upon K or Pb doping. We present a study on the transport and electronic properties of BaBiO$_3$ perovskite with strong Bi-deficiency. We…

Electronic, lattice, and spin interactions at the interfaces between crystalline complex transition metal oxides can give rise to a wide range of functional electronic and magnetic phenomena not found in bulk. At hetero-interfaces, these…

Strongly Correlated Electrons · Physics 2017-08-03 S. Koohfar , A. S. Disa , M. Marshall , F. J. Walker , C. H. Ahn , D. P. Kumah

We identify a first-order, isosymmetric transition between a ferrielectric (FiE) and ferroelectric (FE) state in $A$-site ordered LaScO$_{3}$/BiScO$_{3}$ and LaInO$_{3}$/BiInO$_{3}$ superlattices. Such a previously unreported ferroic…

Materials Science · Physics 2013-09-11 Gaoyang Gou , James M. Rondinelli

Using first principles calculations, we determined the epitaxial-strain dependence of the ground state of the 1:1 SrCrO$_3$/SrTiO$_3$ superlattice. The superlattice layering leads to significant changes in the electronic states near the…

Materials Science · Physics 2015-09-16 Yuanjun Zhou , Karin M. Rabe

Using first-principles calculations we examine the crystal structures and phase transitions of nitride perovskite LaWN$_3$. Lattice dynamics calculations indicate that the ground-state structure belongs to space group $R3c$. Two competitive…

Methylammonium lead iodide perovskite has attracted intensive interest for its diverse optoelectronic applications. However, most studies to date have been limited to bulk thin films that are difficult to implement for integrated device…

In solids, charge polarity can one-to-one correspond to spin polarity phenomenologically, e.g. ferroelectricity/ferromagnetism, antiferroelectricity/antiferromagnetism, and even dipole-vortex/magnetic-vortex, but…

Novel phenomena appear when two different oxide materials are combined together to form an interface. For example, at the interface of LaAlO3/SrTiO3, two dimensional conductive states form to avoid the polar discontinuity and magnetic…

Materials Science · Physics 2017-02-23 Fang Wang , Zhaohui Ren , He Tian , Shengyuan A. Yang , Yanwu Xie , Yunhao Lu , Jianzhong Jiang , Gaorong Han , Kesong Yang

Structural softness - often characterized by unstable phonon modes and large electromechanical responses - is a hallmark of ferroelectric perovskites like BaTiO3 or Pb(Ti,Zr)O3. Whether HfO2 ferroelectrics present any such structural…

Materials Science · Physics 2024-12-30 Binayak Mukherjee , Natalya S. Fedorova , Jorge Íñiguez-González

Ferroelasticity describes a phenomenon in which a material exhibits two or more equally stable orientation variants and can be switched from one form to another under an applied stress. Recent works have demonstrated that two-dimensional…

Materials Science · Physics 2024-09-11 Devesh R. Kripalani , Qiye Guan , Hejin Yan , Yongqing Cai , Kun Zhou

We investigate the ferroelectric phase transition and domain formation in a periodic superlattice consisting of alternate ferroelectric (FE) and paraelectric (PE) layers of nanometric thickness. We find that the polarization domains formed…

Materials Science · Physics 2007-05-23 V. A. Stephanovich , I. A. Luk'yanchuk , M. G. Karkut

While electrical compatibility constraints normally prevent head-to-head (HH) and tail-to-tail (TT) domain walls from forming in ferroelectric materials, we propose that such domain walls could be stabilized by intentional growth of atomic…

Materials Science · Physics 2009-12-17 Xifan Wu , David Vanderbilt

Epitaxial BiFeO3/SrRuO3 superlattices have been grown by pulsed laser deposition on a (001) oriented LaAlO3 substrate and probed by X-ray diffraction and Raman spectroscopy. To investigate the structural competition between rhombohedral…

Materials Science · Physics 2021-07-09 S. Yousfi , M. El Marssi , H. Bouyanfif

Metal-organic frameworks comprehend a wide class of hybrid organic-inorganic materials with general structure A$_m$BX$_n$, with $A$ and $X$ being organic molecules and B a metal cation. This often results in enhanced structural flexibility…

Materials Science · Physics 2022-04-21 Francesco Foggetti , Alessandro Stroppa , Sergey Artyukhin