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Doubling the perovskite cell (double perovskite) has been found to open new possibilities for engineering functional materials, magnetic materials in particular. This route should be applicable to the antiperovskite (aPV) class. In the…

材料科学 · 物理学 2020-04-03 Wen Fong Goh , Warren E. Pickett

Exploring new magnetic materials is essential for finding advantageous functional properties such as magnetoresistance, magnetocaloric effect, spintronic functionality, and multiferroicity. Versatile classes of double perovskite compounds…

强关联电子 · 物理学 2019-05-03 M. K. Kim , J. Y. Moon , S. H. Oh , D. G. Oh , Y. J. Choi , N. Lee

We report the single-crystal X-ray analysis and magnetic properties of a new double-layered perovskite antiferromagnet, Cs$_3$Cu$_2$Cl$_4$Br$_3$. This structure is composed of Cu$_2$Cl$_4$Br$_3$ double layers with elongated CuCl$_4$Br$_2$…

强关联电子 · 物理学 2015-06-25 F. Yamada , T. Ono , H. Tanaka , J. Yamaura

We present electronic structure calculations on layered nickelate oxyfluorides derived from the Ruddlesden-Popper arisotype structure in search of unidentified materials that may host nickelate superconductivity. By performing anion…

X-ray diffraction, dynamical mechanical analysis and infrared reflectivity studies revealed an antiferrodistortive phase transition in EuTiO3 ceramics. Near 300K the perovskite structure changes from cubic Pm-3m to tetragonal I4/mcm due to…

We construct and analyze a microscopic model for insulating rock salt ordered double perovskites, with the chemical formula A$_2$BB'O$_6$, where the B' atom has a 4d$^1$ or 5d$^1$ electronic configuration and forms a face centered cubic…

强关联电子 · 物理学 2018-10-08 Gang Chen , Rodrigo Pereira , Leon Balents

The isostructural double perovskites Ba$_2$CuTeO$_6$ and Ba$_2$CuWO$_6$ are shown by theory and experiment to be frustrated square-lattice antiferromagnets with opposing dominant magnetic interactions. This is driven by differences in…

Competing ferroelectric and charge density wave phases have been proposed to be present in the electron-phonon coupled LaO$_{1-x}$F$_{x}$BiS$_{2}$ superconductor. The lattice instability arises from unstable phonon modes that can break the…

超导电性 · 物理学 2017-04-06 A. Athauda , C. Hoffman , Y. Ren , S. Aswartham , J. Terzic , G. Cao , X. Zhu , D. Louca

Atomic-scale control of spins by electric fields is highly desirable for future technological applications. Magnetically-doped Aurivillius-phase oxides present one route to achieve this, with magnetic ions substituted into the ferroelectric…

Ferroelastic materials (materials with switchable spontaneous strain) often are centrosymmetric, but their domain walls are always polar, as their internal strain gradients cause polarization via flexoelectricity. This polarization is…

材料科学 · 物理学 2025-03-11 Guangming Lu , Gustau Catalan , Ekhard K. H. Salje

Results from dielectric and structural measurements on epitaxial SrTiO$_3$/BaZrO$_3$ superlattices reveal properties that cannot be explained simply in terms of those measured on single films of the constituent materials. For large…

材料科学 · 物理学 2009-11-10 Hans M. Christen , Eliot D. Specht , Sherwood S. Silliman , K. S. Harshavardhan

We predict an antipolar instability in hexagonal LaN using first-principles density functional theory. Starting from a nonpolar hexagonal phase, we identify competing polar and antipolar zone-center phonon instabilities. Condensation of the…

材料科学 · 物理学 2026-05-22 Atanu Paul , Laurent Bellaiche , Charles Paillard

Under normal conditions, bulk crystals of BiScO$_3$ , BiCrO$_3$, BiMnO$_3$, BiFeO$_3$, and BiCoO$_3$ present three very different variations of the perovskite structure: an antipolar phase, a rhombohedral phase with a large polarization…

材料科学 · 物理学 2018-11-07 Akansha Singh , Viveka N. Singh , Enric Canadell , Jorge Íñiguez , Oswaldo Diéguez

We have investigated the nature of the antiferromagnetic (AF) phase induced by uniaxial stress sigma in URu2Si2, by performing elastic neutron scattering measurements up to 0.4 GPa. We have found that the AF Bragg-peak intensity shows a…

强关联电子 · 物理学 2007-05-23 M. Yokoyama , J. Nozaki , H. Amitsuka , K. Watanabe , S. Kawarazaki , H. Yoshizawa , J. A. Mydosh

Conflicting interpretations of experimental data preclude the understanding of the quantum magnetic state of spin-orbit coupled $d^2$ double perovskites. Whether the ground state is a Janh-Teller-distorted order of quadrupoles or the…

强关联电子 · 物理学 2021-12-02 Leonid V. Pourovskii , Dario Fiore Mosca , Cesare Franchini

Charge-neutral 180$^\circ$ domain walls that separate domains of antiparallel polarization directions are common structural topological defects in ferroelectrics. In normal ferroelectrics, charged 180$^\circ$ domain walls running…

材料科学 · 物理学 2017-06-07 Shi Liu , R. E. Cohen

Double perovskites Cs$_2$Au$_2$X$_6$ (X=Cl, Br, I) are prototypical materials that exhibit charge disproportionation of gold into 1+ and 3+ states. It is known that the disproportionation is resolved under high pressures, and this has…

材料科学 · 物理学 2024-05-16 Kazuki Morita , Andrew M. Rappe

Interlayer stacking order has recently emerged as a unique degree of freedom to control crystal symmetry and physical properties in two-dimensional van der Waals (vdW) materials and heterostructures. By tuning the layer stacking pattern,…

A topological insulating phase has theoretically been predicted for the thermodynamically unstable perovskite phase of YBiO$_{3}$. Here, it is shown that the crystal structure of the Y-Bi-O system can be controlled by using a BaBiO$_{3}$…

The usual classical behaviour of S = 3/2, B-site ordered double perovskites generally results in simple, commensurate magnetic ground states. In contrast, heat capacity and neutron powder diffraction measurements for the S = 3/2 systems…

强关联电子 · 物理学 2015-06-11 A. A. Aczel , D. E. Bugaris , L. Li , J. -Q. Yan , C. de la Cruz , H. -C. zur Loye , S. E. Nagler