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We report a molecular dynamics study of ab initio quality of the ferroelectric phase transition in crystalline PbTiO3. We model anharmonicity accurately in terms of potential energy and polarization surfaces trained on density functional…

材料科学 · 物理学 2025-04-02 Pinchen Xie , Yixiao Chen , Weinan E , Roberto Car

Strain fields, dislocations and defects may be used to control electronic properties of graphene. By using advanced imaging techniques with high-resolution transmission electron microscopes, we have measured the strain and rotation fields…

介观与纳米尺度物理 · 物理学 2015-10-20 L. L. Bonilla , A. Carpio , C. Gong , J. H. Warner

We present results of combined density functional theory plus dynamical mean-field theory (DFT+DMFT) calculations, which show that the Mott insulator LaTiO3 undergoes an insulator-to-metal transition under compressive epitaxial strain of…

强关联电子 · 物理学 2014-04-17 Krzysztof Dymkowski , Claude Ederer

Plastic response due to dislocation activity under intense electric fields is proposed as a source of breakdown. A model is formulated based on stochastic multiplication and arrest under the stress generated by the field. A critical…

等离子体物理 · 物理学 2018-03-28 Eliyahu Zvi Engelberg , Yinon Ashkenazy , Michael Assaf

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…

We give a bird's-eye view of the plastic deformation of crystals aimed at the statistical physics community, and a broad introduction into the statistical theories of forced rigid systems aimed at the plasticity community. Memory effects in…

Crystal-field excitations, for example in transition-metal oxides where a rare-earth element is used as a spacer between the transition-metal-oxide tetrahedra and octahedra, are assumed to be extremely robust with respect to external…

The layered perovskites $R$Cr(BO$_3$)$_2$ ($R$ = Y and Ho) with magnetic triangular lattices were studied by performing ac/dc susceptibility, specific heat, elastic and inelastic neutron scattering, and dielectric constant measurements. The…

材料科学 · 物理学 2017-09-13 R. Sinclair , H. D. Zhou , M. Lee , E. S. Choi , G. Li , T. Hong , S. Calder

Piezoelectricity is inherent only in noncentrosymmetric materials, but a piezoelectric response can also be obtained in centrosymmetric crystals if subjected to inhomogeneous deformation. This phenomenon, known as flexoelectricity, affects…

材料科学 · 物理学 2007-10-22 P. Zubko , G. Catalan , A. Buckley , P. R. L. Welche , J. F. Scott

Over the past two decades, the magnetic ground states of all rare earth titanate pyrochlores have been extensively studied, with the exception of Sm$_2$Ti$_2$O$_7$. This is, in large part, due to the very high absorption cross-section of…

The discovery of two-dimensional electron gases (2DEGs) at the heterointerface between two insulating perovskite-type oxides, such as LaAlO3 and SrTiO3, provides opportunities for a new generation of all-oxide electronic and photonic…

Strong coupling among spontaneous structural symmetric breaking, magnetism and metallicity in an intrinsic polar magnetic metal can give rise to novel physical phenomena and holds great promise for applications in spintronics. Here, we…

材料科学 · 物理学 2025-11-04 Hong-Fei Huang , Houssam Sabri , Jiadong Zang , Jie-Xiang Yu

In situ straining experiments were performed in a TEM on an equimolar CoCrFeMnNi (Cantor) high entropy alloy at room and cryogenic temperature. Perfect and partial dislocation activity were recorded in both cases. Twinning directly follows…

The increasing availability of a variety of two-dimensional materials has generated enormous growth in the field of nanoengineering and nanomechanics. Recent developments in thin film synthesis have enabled the fabrication of freestanding…

应用物理 · 物理学 2021-08-25 Varun Harbola , Ruijuan Xu , Samuel Crossley , Prastuti Singh , Harold Y. Hwang

A series of Pb-free ferroelectric materials Ba0.9Sr0.1Ti1-xSnxO3 (BSTS-x) with 0 < x < 0.15 was successfully prepared via solid-state reaction method. The effect of Sn substitution on the crystal structure, microstructure, dielectric…

Multifunctional oxides are promising materials because of their fundamental physical properties as well as their potential in applications1. Among these materials, multiferroics exhibiting ferroelectricity and magnetism are good candidates…

材料科学 · 物理学 2010-11-16 B. Kundys , M. Viret , D. Colson , D. O. Kundys

A single crystal of lead-zirconate-titanate (PZT), composition Pb(Zr0.80Ti0.20)O3, was studied by polarized-Raman scattering as a function of temperature. Raman spectra reveal that the local structure deviates from the average structure in…

材料科学 · 物理学 2015-06-23 J. Frantti , Y. Fujioka , A. Puretzky , Y. Xie , Z. -G. Ye , C. Parish , A. M. Glazer

Nanoscale enables a broad range of electromechanical coupling mechanisms that are forbidden or negligible in the materials. We conduct a theoretical study of the electromechanical response of thin paraelectric films with mobile vacancies…

材料科学 · 物理学 2013-05-29 A. N. Morozovska , E. A. Eliseev , G. S. Svechnikov , S. V. Kalinin

The quest for room-temperature ductile ceramics has been repeatedly fueled by hopes for large-scale applications but so far has been not successful. Recent demonstrations of enhanced functional properties in ceramics through judicious…

We revealed the anomalous temperature behavior of the giant dielectric permittivity and unusual frequency dependences of the pyroelectric response of the fine-grained ceramics prepared by the spark plasma sintering of the ferroelectric…