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In the R1/2D1/2MnO3 manganites (R: rare earth, D: divalent cation), the structural phase transition at Tco is commonly interpreted as a concomitant charge and orbital ordering (CO/OO) process driven by a cooperative Jahn-Teller effect and…

Strongly Correlated Electrons · Physics 2007-05-23 A. Daoud-Aladine , J. Rodriguez-Carvajal , L. Pinsard-Gaudart , M. T. Fernandez-Diaz , A. Revcolevschi

Quantum emitters in solid-state crystals have recently attracted a lot of attention due to their simple applicability in optical quantum technologies. The polarization of single photons generated by quantum emitters is one of the key…

Spontaneous self-assembly of hard convex polyhedra are known to form orientationally disordered crystalline phases, where particle orientations do not follow the same pattern as the positional arrangement of the crystal. A distinct type of…

Soft Condensed Matter · Physics 2024-12-02 Sumitava Kundu , Kaustav Chakraborty , Avisek Das

We apply a generalized model for the determination and analysis of the dielectric function of optically anisotropic materials with colour dispersion to phonon modes and show that it can also be generalized to excitonic polarizabilities and…

The spin-driven component of electric polarization in a single crystal of multiferroic BiFeO$_{3}$ was experimentally investigated in pulsed high magnetic fields up to 41 T. Sequential measurements of electric polarization for various…

Strongly Correlated Electrons · Physics 2020-01-08 Shiro Kawachi , Shin Miyahara , Toshimitsu Ito , Atsushi Miyake , Nobuo Furukawa , Jun-ichi Yamaura , Masashi Tokunaga

The effects of high magnetic fields applied perpendicular to the spontaneous ferroelectric polarization on single crystals of BiFeO$_3$ were investigated through magnetization, magnetostriction, and neutron diffraction measurements. The…

Perovskites with tunable and switchable polarization hold immense promise for unlocking novel functionalities. Using density-functional theory, we reveal that intrinsic defects can induce, enhance, and control polarization in…

Materials Science · Physics 2025-06-03 Wahib Aggoune , Matthias Scheffler

Shifting the Curie temperature in dependence on both uniaxial pressure and electric field in BaTiO$_3$ crystals was studied based on literature data. It was shown that both these dependences perfectly coincide when adjusting the scale.…

Materials Science · Physics 2020-12-15 E. Dul'kin , M. Roth

In this work, we carry out first-principles calculations and lattice mode analysis to investigate the polarization switching mechanism in HfO$_2$. Because the stability of the polar orthorhombic $Pca2_1$ phase of HfO$_2$ arises from a…

Materials Science · Physics 2021-08-31 Yubo Qi , Sobhit Singh , Karin M. Rabe

Ferroelectric switching governs the functional properties of ferroelectric perovskites. It is widely accepted that this switching depends on domain nucleation and pinning and that these processes can be controlled by the defect structure.…

Materials Science · Physics 2026-04-16 Himal Wijekoon , Pierre Hirel , Anna Grünebohm

We develop a general theory of electric polarization induced by inhomogeneity in crystals. We show that contributions to polarization can be classified in powers of the gradient of the order parameter. The zeroth order contribution reduces…

Mesoscale and Nanoscale Physics · Physics 2007-11-13 Di Xiao , Junren Shi , Dennis P. Clougherty , Qian Niu

We investigated a switchable ferroelectric diode effect and its physical mechanism in Pt/BiFeO3/SrRuO3 thin-film capacitors. Our results of electrical measurements support that, near the Pt/BiFeO3 interface of as-grown samples, a defective…

Materials Science · Physics 2011-09-12 Daesu Lee , S. H. Baek , T. H. Kim , J. -G. Yoon , C. M. Folkman , C. B. Eom , T. W. Noh

The phonon scattering processes on the three solid phases of ethanol are investigated by means of thermal conductivity, light and neutron scattering measurements as well as molecular dynamics simulations on single-crystalline models for the…

The magnetoelectric behavior of BiFeO$_3$ has been explored on the basis of accurate density functional calculations. The structural, electronic, magnetic, and ferroelectric properties of BiFeO$_3$ are predicted correctly without including…

Materials Science · Physics 2007-05-23 P. Ravindran , R. Vidya , A. Kjekshus , H. Fjellvåg , O. Eriksson

We report modifications of the ferroelectric and electrocaloric properties of BaTiO$_3$ by defects. For this purpose, we have combined \textit{ab initio}-based molecular dynamics simulations with a simple model for defects. We find that…

Materials Science · Physics 2016-10-03 Anna Grünebohm , Takeshi Nishimatsu

The recent observation of a ferroelectric-like structural transition in metallic LiOsO$_3$ has generated a flurry of interest in the properties of polar metals. Such materials are thought to be rare because free electrons screen out the…

Materials Science · Physics 2016-02-29 Nicole A. Benedek , Turan Birol

For decades it has been a well-known fact that among the few ferroelectric compounds in the perovskite family namely BaTiO3, KNbO3, PbTiO3 Na1/2Bi1/2TiO3 the dielectric and piezoelectric properties of BaTiO3 is considerably higher than the…

We present a spatial and wave-vector resolved study of the electronic structure of micron sized ferroelectric domains at the surface of a BaTiO3(001) single crystal. The n-type doping of the BaTiO3 is controlled by in-situ vacuum and oxygen…

Materials Science · Physics 2018-06-12 J. E. Rault , J. Dionot , C. Mathieu , V. Feyer , C. M. Schneider , G. Geneste , N. Barrett

A previous work [1] experimentally confirmed that the special polarization characteristic features of a three-dimensional terahertz (THz) photonic crystal with a silicon inverse diamond structure whose lattice point shape was vacant regular…

Optics · Physics 2019-05-20 Chikara Sakurai

Single crystal synthesis, structure, electric polarization and heat capacity measurements on hexagonal InMnO3 show that this small R ion in the RMnO3 series is ferroelectric (space group P63cm). Structural analysis of this system reveals a…

Materials Science · Physics 2015-06-15 T. Yu , P. Gao , T. Wu , T. A. Tyson , R. Lalancette