Dataset Information

Tunable multiferroic order parameters in Sr1- x Ba x Mn1- y Ti y O3.

ABSTRACT: Responding to the rapidly increasing demand for efficient energy usage and increased speed and functionality of electronic and spintronic devices, multiferroic oxides have recently emerged as key materials capable of tackling this multifaceted challenge. In this paper, we describe the development of single-site manganese-based multiferroic perovskite materials with modest amounts of nonmagnetic Ti substituted at the magnetic Mn site in Sr1- x Ba x Mn1- y Ti y O3 (SBMTO). Significantly enhanced properties were achieved with ferroelectric-type structural transition temperatures boosted to ?430K. Ferroelectric distortions with large spontaneous polarization values of ?30?C/cm2, derived from a point charge model, are similar in magnitude to those of the prototypical nonmagnetic BaTiO3. Temperature dependence of the system's properties was investigated by synchrotron x-ray powder diffraction and neutron powder diffraction at ambient and high pressures. Various relationships were determined between the structural and magnetic properties, Ba and Ti contents, and T N and T C. Most importantly, our results demonstrate the large coupling between the magnetic and ferroelectric order parameters and the wide tunability of this coupling by slight variations of the material's stoichiometry.

SUBMITTER: Chapagain K

PROVIDER: S-EPMC7594212 | biostudies-literature | 2019

REPOSITORIES: biostudies-literature

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Tunable multiferroic order parameters in Sr1- x Ba x Mn1- y Ti y O3.

Chapagain Kamal K Brown Dennis E DE Kolesnik Stanislaw S Lapidus Saul S Haberl Bianca B Molaison Jamie J Lin Chuanlong C Kenney-Benson Curtis C Park Changyong C Pietosa Jaroslaw J Markiewicz Ewa E Andrzejewski Bartlomiej B Lynn Jeffrey W JW Rosenkranz Stephan S Dabrowski Bogdan B Chmaissem Omar O

Physical review materials 20190101

Responding to the rapidly increasing demand for efficient energy usage and increased speed and functionality of electronic and spintronic devices, multiferroic oxides have recently emerged as key materials capable of tackling this multifaceted challenge. In this paper, we describe the development of single-site manganese-based multiferroic perovskite materials with modest amounts of nonmagnetic Ti substituted at the magnetic Mn site in Sr1- x Ba x M ...[more]

PMID: 33134793

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Project description:Giant magnetoelectric coupling is a very rare phenomenon that has gained much attention in the past few decades due to fundamental interest as well as practical applications. Here, we have successfully achieved giant magnetoelectric coupling in PbTi1-x V x O3 (x = 0-1) using a series of generalized gradient-corrected GGA (generalized gradient approximation), including on-site Coulomb repulsion (U)-corrected spin-polarized calculations based on accurate density functional theory. Our total energy calculations show that PbTi1-x V x O3 stabilizes in C-type antiferromagnetic ground state for x > 0.123. With the substitution of V into PbTiO3, the tetragonal distortion is highly enhanced accompanied by a linear increase in polarization. In addition, our band structure analysis shows that for lower x values, the tendency to form two-dimensional magnetism of PbTi1-x V x O3 decreases. The orbital magnetic polarization was calculated with self-consistent field method by including orbital polarization correction in the calculation as well as from the computed X-ray magnetic dichroism spectra. A nonmagnetic metallic ground state is observed for the paraelectric phase for V concentration (x) = 1 competing with a volume change of 10% showing a large magnetovolume effect. Our orbital-projected density of states as well as orbital ordering analysis suggest that the orbital ordering plays a major role in the magnetic-to-nonmagnetic transition when going from ferroelectric to paraelectric phase. The calculated magnetic anisotropic energy shows that the direction [110] is the easy axis of magnetization for x = 1 composition. The partial polarization analysis shows that the Ti/V-O hybridization majorly contributes to the total electrical polarization. The present study adds a new series of compounds to the magnetoelectric family with rarely existing giant coupling between electric- and magnetic-order parameters. These results show that such kind of materials can be used for novel practical applications where one can change the magnetic properties drastically (magnetic to nonmagnetic, as shown here) with external electric field and vice versa.

Dataset Information

Tunable multiferroic order parameters in Sr1- x Ba x Mn1- y Ti y O3.

Publications

Tunable multiferroic order parameters in Sr<sub>1</sub>- <sub><i>x</i></sub> Ba <sub><i>x</i></sub> Mn<sub>1</sub>- <sub><i>y</i></sub> Ti <sub><i>y</i></sub> O<sub>3</sub>.

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