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The structural and polar properties of BiFeO3 at finite temperature are investigated using an atomistic shell model fitted to first-principles calculations. Molecular Dynamics simulations show a direct transition from the low-temperature…

Materials Science · Physics 2015-06-23 M. Graf , M. Sepliarsky , S. Tinte , M. G. Stachiotti

We explain the phenomena of ferroelectric phase transition temperature $T_c$ enhancement beyond the end members in perovskite solid solutions like BiMeO$_3$-PbTiO$_3$ (Me=Sc, In, etc.) is related to nonlinear and spatial correlation…

Materials Science · Physics 2009-11-10 V. A. Stephanovich , M. D. Glinchuk , C. A. Randall

We report neutron inelastic scattering on single crystal 0.68Pb(Mg1/3Nb2/3O3)-0.32PbTiO3 (PMN-0.32PT), a relaxor ferroelectric material that lies within the compositional range of the morphotropic phase boundary (MPB). Data were obtained…

Materials Science · Physics 2009-11-13 Hu Cao , Chris Stock , Guangyong Xu , Peter M. Gehring , Jiefang Li , Dwight Viehland

The electrocaloric effect (ECE) in BaTiO3 is simulated using two different first-principles based effective Hamiltonian molecular dynamics methods. The calculations are performed for a wide range of temperatures (30--900 K) and external…

Materials Science · Physics 2013-11-12 Takeshi Nishimatsu , Jordan A. Barr , Scott P. Beckman

The double perovskite Y_2NiMnO_6 displays ferromagnetic transition at Tc = 81 K. The ferromagnetic order at low temperature is confirmed by the saturation value of magnetization (M_s) and also, validated by the refined ordered magnetic…

Strongly Correlated Electrons · Physics 2016-09-16 Hariharan Nhalil , Harikrishnan S. Nair , C. M. N. Kumar , Andre M. Strydom , Suja Elizabeth

The proton ordering model for the KH$_{2}$PO$_{4}$ type ferroelectrics is modified by taking into account non-linear effects, namely, the dependence of the effective dipole moments on the proton ordering parameter. Within the four-particle…

Materials Science · Physics 2014-05-07 A. S. Vdovych , A. P. Moina , R. R. Levitskii , I. R. Zachek

Electric field-induced studies, including phase transition and polarization hysteresis, for ferroelectric HfO2 at the atomic scale are critical since they can largely affect its application in ferroelectric and dielectric devices. However,…

Materials Science · Physics 2025-11-14 Po-Yen Chen , Teruyasu Mizoguchi

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

Properties and mechanism of the magnetic phase transition of the perovskite-type Ti oxides, which is driven by the Ti-O-Ti bond angle distortion, are studied theoretically by using the effective spin and pseudo-spin Hamiltonian with strong…

Strongly Correlated Electrons · Physics 2009-09-25 Masahito Mochizuki , Masatoshi Imada

The effect of scattering of conduction electrons by dynamical spin fluctuations on the thermopower in metals near a thermal phase transition into an antiferromagnetic phase is considered. We are interested in a transition at room…

Mesoscale and Nanoscale Physics · Physics 2021-09-08 Peter Wölfle , Timothy Ziman

We investigate the effect of hydrostatic pressure on temperature dependence of magnetization and also the influence of magnetic field on linear thermal expansion in polycrystalline Pr0.6Sr0.4MnO3, which is ferromagnetic at room temperature…

Materials Science · Physics 2018-08-15 Amit Chanda , R. Mahendiran

We report observation of electric-field-driven resistive transition at a characteristic threshold field $E_{th}(T)$ across a temperature range 10-200 K in an off-stoichiometric composite of (~80 vol%) W- and (~20 vol%) Z-type hexaferrites.…

Strongly Correlated Electrons · Physics 2022-07-11 Shubhankar Mishra , Chandan K. Ghosh , Aditi Sahoo , Dipten Bhattacharya , Suchandal Mondal , P. Mandal

For Sn$_2$P$_2$S$_6$ ferroelectrics the second order phase transitions line is observed until reaching the tricritical point at transition temperature lowering to 250 K by compression. Observed temperature-pressure phase diagram agrees with…

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…

Materials Science · Physics 2015-06-23 J. Frantti , Y. Fujioka , A. Puretzky , Y. Xie , Z. -G. Ye , C. Parish , A. M. Glazer

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

Inspired by the strong experimental evidence for the coexistence of localized and itinerant charge carriers close to the metal-insulator transition in the ferromagnetic phase of colossal magnetoresistive manganese perovskites, for a…

Strongly Correlated Electrons · Physics 2007-05-23 A. Weisse , J. Loos , H. Fehske

We develop a series of approximations to calculate free energy of a polar liquid. We show that long range nature of dipole interactions between the molecules leads to para-electric state instability at low temperatures and to a second-order…

Statistical Mechanics · Physics 2012-05-01 P. O. Fedichev , L. I. Menshikov

We study paramagnetic - ferromagnetic transition due to exchange interaction between classical localized magnetic moments and conduction electrons. By solving the Dynamical Mean Field Approximation equations we find explicit formula for the…

Strongly Correlated Electrons · Physics 2009-11-11 E. Kogan , M. Auslender

Phase diagrams of [001] and [110] field-cooled (FC) (1-x)Pb(Mg1/3Nb2/3O3)-xPbTiO3 or PMN-xPT crystals have been constructed, based on high-resolution x-ray diffraction data. Comparisons reveal several interesting findings. First, a region…

Materials Science · Physics 2009-11-11 Hu Cao , Jiefang Li

The contribution of a built-in electric field to ferroelectric phase transition in asymmetric ferroelectric tunnel junctions is studied using a multiscale thermodynamic model. It is demonstrated in details that there exists a critical…

Materials Science · Physics 2015-06-16 Yang Liu , Xiaojie Lou , Manuel Bibes , Brahim Dkhil
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