Structural study of pressure-induced magnetic phase transitions in manganites La0.67Ca0.33MnO3 and Pr0.7Ca0.3MnO3

Козленко, Д. П.; Глазков, В. П.; Садыков, Р. А.; Савенко, Б. Н.; Воронин, В. И.; Медведева, И. В.

doi:10.1016/s0304-8853(02)01111-3

Cited by 26 publications

(25 citation statements)

References 13 publications

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“…In particular, the 2D checkerboard geometry leads to magnetic frustration and to quasi-degenerate magnetic states that can be tuned by an external perturbation that changes the crystal structure, such as an electric field. This results in a novel magnetostructural effect, adding to previous examples of magnetostructural coupling such as bulk 5 and layered 6 manganites, epitaxial EuT iO 3 7 and EuSe/P bSe 1−x T e x multilayers. 8 Our first principles calculations are performed using density functional theory within the local spin-density approximation (LSDA)+U method as implemented in the Vienna Ab-initio Simulation Package VASP-4.6.34…”

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confidence: 54%

Magnetostructural Effect in the MultiferroicBiFeO3−BiMnO3Checkerboard from First Principles

2010

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Using first principles calculations, we present a magnetostructural effect in the BiFeO3-BiMnO3 nanocheckerboard that is not found in either bulk parent compound or in BiFeO3-BiMnO3 superlattices. We also demonstrate that the atomic-scale checkerboard has a multiferroic ground state with the desired properties of each constituent material: polar and ferrimagnetic due to BiFeO3 and BiMnO3 respectively. PACS numbers: 75.80.+q,75.75.+a There is currently tremendous interest in finding new multiferroic (ferroelectric and ferromagnetic) materials with large magnetoelectric coupling. Advances in the synthesis of artificially structured materials have stimulated efforts to design new multiferroic heterostructures, with first principles methods being an essential tool for the identification and investigation of promising systems. In this Letter, we report the first-principles identification and characterization of an unusual heterostructure, a multiferroic atomic-scale 2D nanocheckerboard 1,2,3,4 of BiFeO 3 -BiMnO 3 , with properties that critically depend on the geometry and are not present in either bulk or layered structures of the constituent materials. In particular, the 2D checkerboard geometry leads to magnetic frustration and to quasi-degenerate magnetic states that can be tuned by an external perturbation that changes the crystal structure, such as an electric field. This results in a novel magnetostructural effect, adding to previous examples of magnetostructural coupling such as bulk 5 and layered 6 manganites, epitaxial EuT iO 3 7 and EuSe/P bSe 1−x T e x multilayers. 8Our first principles calculations are performed using density functional theory within the local spin-density approximation (LSDA)+U method as implemented in the Vienna Ab-initio Simulation Package VASP-4.6.34 9 . We test the robustness of our results with two different implementations of the rotationally invariant LSDA+U version, the first as introduced by Liechtenstein 10 with U F e = U Mn = 5eV , J F e = J Mn = 1eV , and the second due to Dudarev 11

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confidence: 54%

Magnetostructural Effect in the MultiferroicBiFeO3−BiMnO3Checkerboard from First Principles

2010

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“…The whole of the results obtained strongly suggests that the AFM-SE interaction is actually ineffective on the transport properties of LCMO in the low-pressure regime whereas it efficiently contrasts the natural pressure-induced charge delocalization. We would finally point out that a recent neutron diffraction experiment has shown the occurrence of a typical pattern associated to AFM order in high pressure La 0.67 Ca 0.33 MnO 3 [19].…”

Section: Discussionmentioning

confidence: 88%

Competitive effects on the high‐pressure phase diagram of manganites

Postorino¹,

Sacchetti²,

Capone

et al. 2004

Physica Status Solidi (b)

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Recent infrared absorption measurements performed at different pressures and temperatures on the La 0.75 Ca 0.25 MnO 3 manganite provided the insulator-to-metal transition temperature T IM (P), i.e. the P-T phase diagram of the manganite. We report an extended data analysis, by considering in detail pressure and temperature dependence of the observed IR active phonon and of the absorption spectral weights N*. The phonon pressure-dependence, consistently with the P-T phase diagram, indicates the onset of a new localizing interaction above P* = 6 -7 GPa. Finally a simple theoretical model will be employed to give a qualitative explanation of the observed high-pressure behavior and to suggest the relevance of the chargelocalizing super-exchange magnetic interaction in the very high-pressure regime. Within this framework the asymptotic regime at high pressure is ascribed to the competition between the magnetic super-and double-exchange interactions.

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“…Room temperature multiferroic materials with high magnetoelectric couplings are desirable, because they can support novel functionalities in electronic devices 20,21 . Magnetostructural and magnetoelectric couplings have been observed in a number of materials, including bulk 22,23 and layered 24 manganites, epitaxial EuTiO 3 25 , EuSe/PbSe 1−x Te x multilayers 26 , and SrRuO 3 /SrTiO 3 oxide interfaces 27 . Because of the distinct natures of ferroelectric and ferromagnetic ordering, it has proved difficult to find a single-phase room temperature multiferroic material with large polarization, large magnetization, and large magnetoelectric and/or magnetoelectric coupling 28 .…”

Section: Introductionmentioning

confidence: 99%

MultiferroicBiFeO3-BiMnO3nanoscale checkerboard from first principles

2010

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We present a first principles study of an unusual heterostructure, an atomic-scale checkerboard of BiFeO3-BiMnO3, and compare its properties to the two bulk constituent materials, BiFeO3 and BiMnO3. The "nanocheckerboard" is found to have a multiferroic ground state with the desired properties of each constituent: polar and ferrimagnetic due to BiFeO3 and BiMnO3, respectively. The effect of B-site cation ordering on magnetic ordering in the BiFeO3-BiMnO3 system is studied. The checkerboard geometry is seen to give rise to a a novel magnetostructural effect that is neither present in the bulk constituent materials, nor in the layered BiFeO3-BiMnO3 superlattice.

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Structural study of pressure-induced magnetic phase transitions in manganites La0.67Ca0.33MnO3 and Pr0.7Ca0.3MnO3

Cited by 26 publications

References 13 publications

Magnetostructural Effect in the MultiferroicBiFeO3−BiMnO3Checkerboard from First Principles

Magnetostructural Effect in the MultiferroicBiFeO3−BiMnO3Checkerboard from First Principles

Competitive effects on the high‐pressure phase diagram of manganites

MultiferroicBiFeO3-BiMnO3nanoscale checkerboard from first principles

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