Erratum: Orbital ordering and exchange interaction in the manganites [Phys. Rev. B<b>64</b>, 094433 (2001)]

Meskine, Hakim; König, Harald; Satpathy, S.

doi:10.1103/physrevb.68.029901

Cited by 24 publications

(30 citation statements)

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“…These values are in good agreement with the experimental results for the bulk LMO ͑J ϳ 9.7 meV͒ and bulk SMO ͑J ϳ 13.1 meV͒. [21][22][23] From Table I, we see that for ͑LMO͒ 2 / ͑SMO͒ 1 , the inplane exchange interaction J 1 , as well as the out-of-plane exchange interactions J 2 and J 3 , is strong and negative so as to stabilize the FM ordering throughout the superlattice, consistent with the experimental observations. 1,2 Turning now to the ͑LMO͒ 4 / ͑SMO͒ 2 superlattice, the in-plane interactions ͑J 0 and J 2 ͒ are FM as also are the out-of-plane interactions ͑J 3 and J 4 ͒ within the LMO part.…”

Section: Magnetic Exchange Interactionsupporting

confidence: 90%

Electronic and magnetic structure of the(LaMnO3)2n/(SrMnO
Nanda
¹
,
Satpathy
²

2009
Phys. Rev. B
65
5
62
1
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We study the magnetic structure of the ͑LaMnO 3 ͒ 2n / ͑SrMnO 3 ͒ n superlattices from density-functional calculations. In agreement with the experiments, we find that the magnetism changes with the layer thickness n. The reason for the different magnetic structures is shown to be the varying potential barrier across the interface, which controls the leakage of the Mn-e g electrons from the LaMnO 3 side to the SrMnO 3 side. This in turn affects the interfacial magnetism via the carrier-mediated Zener double exchange. For the n = 1 superlattice, the Mn-e g electrons are more or less spread over the entire lattice so that the magnetic behavior is similar to the equivalent alloy compound La 2/3 Sr 1/3 MnO 3 . For larger n, the e g electron transfer occurs mostly between the two layers adjacent to the interface, thus leaving the magnetism unchanged and bulklike away from the interface region.

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Section: Magnetic Exchange Interactionsupporting

confidence: 90%

Electronic and magnetic structure of the(LaMnO3)2n/(SrMnO
Nanda
¹
,
Satpathy
²

2009
Phys. Rev. B
65
5
62
1
View full text Add to dashboard Cite

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“…While earlier studies of the superexchange interactions in manganites were limited to model Hamiltonians containing only the U term, 2,12-14 the importance of the CT processes was emphasized only recently. 65 …”

Section: ͑49͒mentioning

confidence: 99%

Fingerprints of spin-orbital physics in cubic Mott insulators: Magnetic exchange interactions and optical spectral weights

et al. 2005

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The temperature dependence and anisotropy of optical spectral weights associated with different multiplet transitions is determined by the spin and orbital correlations. To provide a systematic basis to exploit this close relationship between magnetism and optical spectra, we present and analyze the spin-orbital superexchange models for a series of representative orbital-degenerate transition metal oxides with different multiplet structure. For each case we derive the magnetic exchange constants, which determine the spin wave dispersions, as well as the partial optical sum rules. The magnetic and optical properties of early transition metal oxides with degenerate t 2g orbitals ͑titanates and vanadates with perovskite structure͒ are shown to depend only on two parameters, viz. the superexchange energy J and the ratio of Hund's exchange to the intraorbital Coulomb interaction, and on the actual orbital state. In e g systems important corrections follow from charge transfer excitations, and we show that KCuF 3 can be classified as a charge transfer insulator, while LaMnO 3 is a Mott insulator with moderate charge transfer contributions. In some cases orbital fluctuations are quenched and decoupling of spin and orbital degrees of freedom with static orbital order gives satisfactory results for the optical weights. On the example of cubic vanadates we describe a case where the full quantum spin-orbital physics must be considered. Thus information on optical excitations, their energies, temperature dependence, and anisotropy, combined with the results of magnetic neutron scattering experiments, provides an important consistency test of the spin-orbital models, and indicates whether orbital and/or spin fluctuations are important in a given compound. I. SUPEREXCHANGE AND OPTICAL EXCITATIONS AT ORBITAL DEGENERACYThe physical properties of Mott ͑or charge transfer͒ insulators are dominated by large on-site Coulomb interactions ϰU which suppress charge fluctuations. Quite generally, the Coulomb interactions lead then to strong electron correlations which frequently involve orbitally degenerate states, such as 3d ͑or 4d͒ states in transition metal compounds, and are responsible for quite complex behavior with often puzzling transport and magnetic properties. 1 The theoretical understanding of this class of compounds, with the colossal magnetoresistance ͑CMR͒ manganites as a prominent example, 2,3 has substantially advanced over the last decade, 4 after it became clear that orbital degrees of freedom play a crucial role in these materials and have to be treated on equal footing with the electron spins, which has led to a rapidly developing field, orbital physics. 5 Due to the strong onsite Coulomb repulsion, charge fluctuations in the undoped parent compounds are almost entirely suppressed, and an adequate description of these strongly correlated insulators appears possible in terms of superexchange. 6 At orbital degeneracy the superexchange interactions have a rather rich structure, represented by the so-called spin-orbita...

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“…As the Mn-O-Mn angle θ is reduced when moving away from the DW, the exchange coupling component perpendicular to the twin wall decreases (J ′ x < J x ). More generally, the 33,34 . Exchange couplings are strongly affected by both the Mn-O-Mn angle (increasing as θ → 180…”

Section: Magnetic Exchange At the Domain Wallmentioning

confidence: 99%

Improper origin of polar displacements at CaTiO3and CaMnO3twin walls

2014

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Recent interests towards novel functionalities arising at domain walls of ferroic materials naturally call for a microscopic understanding. To this end, first-principles calculations have been performed in order to provide solid evidence of polar distortions in the twin walls of nonpolar CaTiO3 and magnetic CaMnO3. We show that such polar displacements arise from rotation/tilting octahedral distortions -cooperatively acting at the twin wall in both considered systems -rather than from a proper secondary ferroelectric instability, as often believed. Our results are in excellent agreement with experimental observations of domain walls in CaTiO3. In addition, we show that magnetic properties at the twin wall in CaMnO3 are also modified, thus suggesting an unexplored route to achieve and detect multiferroic ordering in a single-phase material.

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Erratum: Orbital ordering and exchange interaction in the manganites [Phys. Rev. B64, 094433 (2001)]

Cited by 24 publications

References 0 publications

Electronic and magnetic structure of the(LaMnO3)2n/(SrMnO
Nanda
¹
,
Satpathy
²

2009
Phys. Rev. B
65
5
62
1
View full text Add to dashboard Cite

Electronic and magnetic structure of the(LaMnO3)2n/(SrMnO
Nanda
¹
,
Satpathy
²

2009
Phys. Rev. B
65
5
62
1
View full text Add to dashboard Cite

Fingerprints of spin-orbital physics in cubic Mott insulators: Magnetic exchange interactions and optical spectral weights

Improper origin of polar displacements at CaTiO3and CaMnO3twin walls

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Erratum: Orbital ordering and exchange interaction in the manganites [Phys. Rev. B64, 094433 (2001)]

Cited by 24 publications

References 0 publications

Electronic and magnetic structure of the(LaMnO3)2n/(SrMnONanda1, Satpathy2 2009Phys. Rev. B655621View full textAdd to dashboardCite

Electronic and magnetic structure of the(LaMnO3)2n/(SrMnONanda1, Satpathy2 2009Phys. Rev. B655621View full textAdd to dashboardCite

Fingerprints of spin-orbital physics in cubic Mott insulators: Magnetic exchange interactions and optical spectral weights

Improper origin of polar displacements at CaTiO3and CaMnO3twin walls

Contact Info

Product

Resources

About

Electronic and magnetic structure of the(LaMnO3)2n/(SrMnO
Nanda
¹
,
Satpathy
²

2009
Phys. Rev. B
65
5
62
1
View full text Add to dashboard Cite

Electronic and magnetic structure of the(LaMnO3)2n/(SrMnO
Nanda
¹
,
Satpathy
²

2009
Phys. Rev. B
65
5
62
1
View full text Add to dashboard Cite