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High-strain piezoelectric materials are often ceramics with a complicated constitution. In particular, PZT is used with compositions near to a so-called morphotropic phase boundary, where not only different variants of the same phase…

Materials Science · Physics 2009-11-11 Johannes Rödel

The crystal structures and phonon spectra of orthorhombic cadmium titanate with the $Pbnm$ structure and of its two possible ferroelectrically distorted phases with $Pbn2_1$ and $Pb2_1m$ space groups were calculated from first principles…

Materials Science · Physics 2015-07-27 Alexander I. Lebedev

The electronic valence state of Mn in Pb(Zr0.2Ti0.8)O3/La0.8Sr0.2MnO3 multiferroic heterostructures is probed by near edge x-ray absorption spectroscopy as a function of the ferroelectric polarization. We observe a temperature independent…

Materials Science · Physics 2010-04-13 C. A. F. Vaz , J. Hoffman , Y. Segal , J. W. Reiner , R. D. Grober , Z. Zhang , C. H. Ahn , F. J. Walker

The (H,T)-phase diagram of the multiferroic perovskite TbMnO$_3$ was studied by high-resolution thermal expansion $\alpha(T)$ and magnetostriction $\Delta L(H)/L$ measurements. Below $T_{N}\simeq 42$ K, TbMnO$_3$ shows antiferromagnetic…

Strongly Correlated Electrons · Physics 2009-11-13 D. Meier , N. Aliouane , D. N. Argyriou , J. A. Mydosh , T. Lorenz

The rotational instability of the electric polarization P during phase transformations between ferroelectric phases is of great practical interest, since it may be accompanied by extremely large values of the piezoelectric coefficient, and…

Materials Science · Physics 2016-02-24 F. Cordero , H. T. Langhammer , T. Müller , V. Buscaglia , P. Nanni

High-energy x-ray diffraction experiments peformed on rhombohedral (1-x)Pb(Zn1/3Nb2/3)O3-xPbTiO3(PZN-xPT) crystals with x= 4.5 and 8% show that an electric field applied along the [001] direction induces the tetragonal phase, as proposed by…

Materials Science · Physics 2009-11-07 B. Noheda , Z. Zhong , D. E. Cox , G. Shirane , S-E. Park , P. Rehring

Hybrid molecular ferroelectrics with orientationally disordered mesophases offer significant promise as lead-free alternatives to traditional inorganic ferroelectrics owing to properties such as room temperature ferroelectricity, low-energy…

Materials Science · Physics 2024-10-22 Elin Dypvik Sødahl , Jesús Carrete , Georg K. H. Madsen , Kristian Berland

The Magnetoelectric (ME) effect in solids is a prominent cross correlation phenomenon, in which the electric field (${\bm E}$) controls the magnetization (${\bm M}$) and the magnetic field (${\bm H}$) controls the electric polarization…

Strongly Correlated Electrons · Physics 2015-09-30 Makoto Naka , Sumio Ishihara

We present a formulation for high-order generalized periodicity conditions in the context of a high-order electromechanical theory including flexoelectricity, strain gradient elasticity and gradient dielectricity, with the goal of studying…

Numerical Analysis · Mathematics 2023-11-15 J. Barceló-Mercader , D. Codony , A. Mocci , I. Arias

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

We present a study of the dielectric, structural, and magnetic properties of the multiferroic or linear magnetoelectric substitution series [(NH$_4$)$_{1-x}$K$_x$]$_2$[FeCl$_5$(H$_2$O)]. Pyroelectric currents, magnetic susceptibilities, and…

We show that the symmetry of the spin zigzag chain E phase of the orthorhombic perovskite manganites and nickelates allows for the existence of a finite ferroelectric polarization. The proposed microscopic mechanism is independent of…

Strongly Correlated Electrons · Physics 2007-05-23 I. A. Sergienko , C. Sen , E. Dagotto

Modeling ferroelectric materials from first principles is one of the successes of density-functional theory, and the driver of much development effort, requiring an accurate description of the electronic processes and the thermodynamic…

Materials Science · Physics 2022-10-26 Lorenzo Gigli , Max Veit , Michele Kotiuga , Giovanni Pizzi , Nicola Marzari , Michele Ceriotti

This letter addresses basic questions concerning ferroelectric order in positionally disordered dipolar materials. Three models distinguished by dipole vectors which have one, two or three components are studied by computer simulation.…

Condensed Matter · Physics 2009-10-28 G. Ayton , M. J. P. Gingras , G. N. Patey

Relaxor ferroelectrics have been a focus of intense attention due to their anomalous dielectric characteristics, diffuse phase transitions, and strong piezoelectricity. Understanding the structure and dynamics of relaxors has been one of…

Materials Science · Physics 2013-12-09 Hiroyuki Takenaka , Ilya Grinberg , Andrew M. Rappe

We report on high-order harmonic generation in the two-band superconductor MgB$_2$ driven by intense terahertz electromagnetic pulses. Third- and fifth-order harmonics are resolved in time domain and investigated as a function of…

<001> oriented 0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 single crystals were poled under different electric fields, i.e. Epoling=4 kV/cm and Epoling=13 kV/cm. In addition to the temperature-dependent dielectric constant measurement, X-ray diffraction…

Materials Science · Physics 2009-11-07 Ke-Pi Chen , Xiao-Wen Zhang , Hao-Su Luo

Samarium substituted bismuth ferrite (BiFeO3) ceramics prepared by sol-gel synthesis method were studied using both local scale and microscopic measurement techniques in order to clarify an evolution of the crystal structure of the…

The solid solution $0.5Ba(Ti_{0.8}Zr_{0.2})O_3$-$0.5(Ba_{0.7}Ca_{0.3})TiO_3$ (BCZT) has become a promising member of the lead-free piezoelectric materials because of its exceptionally high piezoelectric properties. In this study, we focus…

From a symmetry perspective, ferroaxial order belongs to the same symmetry as time-reversal-even pseudovectors. Experimentally, ${\rm K_2Zr(PO_4)_2}$ is known to undergo a displacive-type phase transition from a non-ferroaxial to a…

Materials Science · Physics 2025-12-22 Yu Xie , Rikuto Oiwa , Satoru Hayami