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The competitions between ferroelectric and rotational instabilities in rhombohedral PZT near x = 0.5 are investigated using first principles density functional supercell calculations. As expected, we find a strong ferroelectric instability.…

Materials Science · Physics 2009-10-31 M. Fornari , D. J. Singh

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…

The potential of hybrid improper ferroelectrics (HIFs) in electronic and spintronic devices hinges on their ability to switch polarization. Although the coupling between octahedral rotation and tilt is well established, the factors that…

Materials Science · Physics 2026-01-19 Ayana Ghosh , Palanichamy Gayathri , Sathiyamoorthy Buvaneswaran , Saurabh Ghosh

Single-phase perovskite 5 at.% Mn-doped and undoped polycrystalline BaTiO3 thin films have been grown under different oxygen partial pressures by pulsed laser deposition on platinum-coated sapphire substrates. Ferroelectricity is only…

Ferroelectricity, a hallmark of spontaneous inversion-symmetry breaking, has been a central concept in condensed matter physics and functional materials research, yet recent discoveries are revealing that switchable polarization can emerge…

Materials Science · Physics 2026-05-11 Yudi Yang , Changming Ke , Shi Liu

We investigate the strain dependence of the ferroelectric polarization and the structure of the ferroelectric domain walls in the layered perovskite-related barium fluorides, BaMF$_4$ (M=Mg, Zn). The unusual "geometric ferroelectricity" in…

Materials Science · Physics 2016-02-24 Maribel Núñez Valdez , Hendrik Th. Spanke , Nicola A. Spaldin

Ferromagnetism and its evolution in the orthorhombic perovskite system Sr1-xCaxRuO3 have been widely believed to correlate with the structural distortion. The recent development of high-pressure synthesis of the Ba substituted Sr1-yBayRuO3…

Strongly Correlated Electrons · Physics 2015-06-17 J. -G. Cheng , J. -S. Zhou , J. B. Goodenough

The nature of the "forbidden" local- and long-range polar order in nominally nonpolar paraelectric phases of ferroelectric materials has been an open question since the discovery of ferroelectricity in oxide perovskites (ABO3). A currently…

Observation of ferroelectricity among non-d0 systems, which was believed for a long time an unrealistic concept, led to various proposals for the mechanisms to explain the same (i.e. magnetically induced ferroelectricity) during last…

Magneto-electric multiferroics exemplified by TbMnO3 possess both magnetic and ferroelectric long-range order. The magnetic order is mostly understood, whereas the nature of the ferroelectricity has remained more elusive. Competing models…

Strongly Correlated Electrons · Physics 2011-10-14 H. C. Walker , F. Fabrizi , L. Paolasini , F. de Bergevin , J. Herrero-Martin , A. T. Boothroyd , D. Prabhakaran , D. F. McMorrow

The question whether ferroelectricity (FE) may coexist with a metallic or highly conducting state, or rather it must be suppressed by the screening from the free charges, is the focus of a rapidly increasing number of theoretical studies…

Materials Science · Physics 2019-02-20 F. Cordero , F. Trequattrini , F. Craciun , H. T. Langhammer , D. A. B. Quiroga , P. S. Silva

Ferroelectrics display spontaneous and switchable electrical polarization. Until recently, ferroelectricity was believed to disappear at the nanoscale; now, nano-ferroelectrics are being considered in numerous applications. This renewed…

Mysterious high temperature structureless transitions in (TMTTF)2X compounds have been discovered in mid 80's (Coulon, Lawersanne,vet al), but left unexplained and abandoned, together with other warnings from structural effects (Moret,…

Strongly Correlated Electrons · Physics 2007-05-23 Serguei Brazovskii

The emerging interest in two-dimensional electron gases (2DEGs), formed at interfaces between two insulating oxide perovskites poses crucial fundamental question in view of future electronic devices. In the framework of density-functional…

Materials Science · Physics 2022-03-09 Le Fang , Wahib Aggoune , Wei Ren , Claudia Draxl

GaFeO3, AlFeO3 and related oxides are ferrimagnetic exhibiting magnetodielectric effect. There has been no evidence to date for ferroelectricity and hence multiferroicity in these oxides. We have investigated these oxides as well as oxides…

There is great interest in hybrid organic-inorganic materials such as metal-organic frameworks (MOFs). The compounds [C(NH$_{2}$)$_{3}$]M(HCOO)$_{3}$, where M=Cu$^{2+}$ or Cr$^{2+}$ are Jahn-Teller (JT) active ions, are MOF with perovskite…

Materials Science · Physics 2014-03-27 Alessandro Stroppa , Paolo Barone , Prashant Jain , Jean Manuel Perez-Mato , Silvia Picozzi

The ability to control the structure of a crystalline solid on ultrafast timescales bears enormous potential for information storage and manipulation or generating new functional states of matter [1]. In many materials where the ultrafast…

"Magnetic ferroelectric" has been found in a wide range of spiral magnets. However, these materials all suffer from low critical temperatures, which are usually below 40 K, due to strong spin frustration. Recently, CuO has been found to be…

Materials Science · Physics 2012-05-08 Guangxi Jin , Kun Cao , Guang-Can Guo , Lixin He

The Jahn-Teller distortion and the resulting orbital order usually cause some fascinating correlated electronic behaviors, and generally lead to antiferromagnetism in perovskite bulks. Here we demonstrate that the Jahn-Teller distortion…

Materials Science · Physics 2023-05-03 Ke Ji , Zongshuo Wu , Xiaofan Shen , Jianli Wang , Junting Zhang

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
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