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Extending the recently-developed bond-order-length-strength (BOLS) correlation mechanism [Sun CQ, Prog Solid State Chem 2007, 35, 1-159] to the pressure domain has led to atomistic insight into the phase stability of nanostructures under…

Mesoscale and Nanoscale Physics · Physics 2008-01-04 Chang Q Sun

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

We investigate the effect of thermal fluctuations on the (mean-field) Abrikosov phase. The lower critical dimension of the superconducting phase is three, indicating the absence of the Abrikosov phase for dimensions d<3. Within the d=3…

Superconductivity · Physics 2008-02-03 S-K. Chin , M. A. Moore

We analyze theoretically the finite-temperature polarization dynamic in displacive-type ferroelectrics. In particular we consider the thermally-activated switching time of a single-domain ferroelectric polarization studied by means of the…

Materials Science · Physics 2016-12-21 S. R. Etesami , A. Sukhov , J. Berakdar

In this paper we report an investigation on the ferromagnetic state and the nature of ferromagnetic transition of nanoparticles of $\mathrm{La_{0.67}Ca_{0.33}MnO_3}$ using magnetic measurements and neutron diffraction. The investigation was…

Strongly Correlated Electrons · Physics 2011-01-04 Tapati Sarkar , A. K. Raychaudhuri , A. K. Bera , S. M. Yusuf

Ferroelectrics have a spontaneous electrical polarization that is arranged into domains and can be reversed by an externally applied field. This high versatility makes them useful in enabling components such as capacitors, sensors, and…

Materials Science · Physics 2025-10-29 J. Schultheiß , G. Picht , J. Wang , Y. A. Genenko , L. Q. Chen , J. E. Daniels , J. Koruza

We analyzed the domain morphology, electrocaloric response, and negative capacitance states in a one-dimensional array of uniformly oriented, radial symmetric ferroelectric nanowires, whose spontaneous polarization is normal to their…

The finite-size effect on the antiferromagnetic (AF) transition and electronic configuration of iron has been observed in LiFePO4. Determination of the scaling behavior of the AF transition temperature (TN) versus the particle-size…

Materials Science · Physics 2012-10-29 G. J. Shu , M. W. Wu , F. C. Chou

Using Landau-Ginzburg-Devonshire approach we calculated the equilibrium distributions of electric field, polarization and space charge in the ferroelectric-semiconductor heterostructures containing proper or incipient ferroelectric thin…

We predict that ferroelectric phase can be induced by the strong intrinsic surface stress inevitably present under the curved surface in the high aspect ratio cylindrical nanoparticles of nonferroelectric binary oxides (BaO, EuO, MgO, etc).…

Materials Science · Physics 2009-10-14 Anna N. Morozovska , E. A. Eliseev , Robert Blinc , Maya D. Glinchuk

We predicted the ferroelectric-ferromagnetic multiferroic properties of EuTiO3 nanowires and generated the phase diagrams in coordinates of temperature and wire radii. The calculations were performed within the Landau-Ginzburg-Devonshire…

The interplay between the electron transport in metal/ferroelectric/metal junctions with ultrathin ferroelectric barriers and the polarization state of a barrier is investigated. Using a model which takes into account screening of…

Other Condensed Matter · Physics 2009-11-11 M. Ye. Zhuravlev , R. F. Sabirianov , S. S. Jaswal , E. Y. Tsymbal

Physical nature of "giant" magnetocaloric and electrocaloric effects, MCE and ECE, is explained in terms of the new fundamentals of phase transitions, ferromagnetism and ferroelectricity. It is the latent heat of structural…

Materials Science · Physics 2013-06-04 Vitaly J. Vodyanoy , Yuri Mnyukh

The behaviour of the cross-sectional polarization field is explored for thin nanowires of barium titanate from first-principles calculations. Topological defects of different winding numbers have been obtained, beyond the known textures in…

Materials Science · Physics 2011-09-19 J. W. Hong , G. Catalan , D. N. Fang , Emilio Artacho , J. F. Scott

We report the discovery of a geometric pathway for tuning ferroelectric properties through thermally driven reconfiguration between coexisting polar states in Li-substituted NaNbO3. Using first-principles density functional theory…

A complete understanding of the mechanisms for dielectric relaxation in relaxor ferroelectrics remains elusive. We used a structural refinement framework that integrates several types of experimental data to identify the nanoscale…

Type II superconductors, consisting of superconducting domains embedded in a normal or insulating matrix, undergo a rounded phase transition. Indeed, the correlation length cannot grow beyond the spatial extent of the domains. Accordingly,…

Superconductivity · Physics 2009-11-10 T. Schneider

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

Ferroelectrics are characterized by domain structures as are other ferroics. At the nanoscale though, ferroelectrics may exhibit non-trivial or exotic polarization configurations under proper electrostatic and elastic conditions. These…

Materials Science · Physics 2019-11-15 Saul Estandia , Florencio Sanchez , Matthew F. Chisholm , Jaume Gazquez

Spontaneous polarization is essential for ferroelectric functionality in non-centrosymmetric crystals. High-integration-density ferroelectric devices require the stabilization of ferroelectric polarization in small volumes. Here,…