Orbital Degeneracy and Magnetism of Perovskite Manganese Oxides

Solovyev, I. V.; Terakura, Kiyoyuki

doi:10.1007/978-3-662-05310-2_6

Cited by 10 publications

(22 citation statements)

References 87 publications

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“…and is the measure of the kinetic energy of the fully spin-polarized half-metallic states [26]. Originally, the concept of the double exchange was introduced for the metallic phase of CMR manganites [7].…”

Section: Relation With the Models Of Magnetic Interactionsmentioning

confidence: 99%

“…Originally, the concept of the double exchange was introduced for the metallic phase of CMR manganites [7]. However, the phenomenon appears to be more generic and one of the most interesting recent suggestions was that the same mechanism can operate in the insulating state, provided that the system is a band insulator [26]. This substantially modifies the original view on the problem and combine two seemingly orthogonal concepts, one of which is the DE physics and the other one is the insulating behavior of some CMR manganites.…”

Section: Relation With the Models Of Magnetic Interactionsmentioning

confidence: 99%

“…In this sense, the understanding of the magnetic phase diagram is directly related with the understanding of the CMR effect. There is a large number of modern review articles devoted to these compounds [26,33,34,35], which covers a lot of experimental information as well as the theoretical views on the problem. In this section we would like to illustrate, as we believe, the main idea behind the magnetic phase diagram and the CMR effect itself from the viewpoint of electronic structure calculations and the general theory of interatomic magnetic interactions presented in Sec.…”

Section: Double Exchange Interactions In Cmr Manganitesmentioning

confidence: 99%

“…The proper model for the electronic structure can be obtained by doing the tight-binding parametrization of LDA bands [36,43]. However, for many applications one can use even cruder approximation and consider only the NN hoppings between Mn sites, parameterized according to Slater and Koster [44]: 26], and thereafter used as the energy unit).…”

Section: Minimal Model For Cmr Manganitesmentioning

confidence: 99%

“…However, as far as the low-temperature behavior is concerned, the inclusion of these terms (of course, under the appropriate choice of the parameters [49]) may change the situation quantitatively, but not qualitatively. 16 Note that around x=0.5, |J S | is of the order of 0.1 [26].…”

Section: +mentioning

confidence: 99%

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Magnetic Interactions in Transition‐Metal Oxides

Solovyev

2003

ChemInform

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The correct understanding of the nature and dynamics of interatomic magnetic interactions in solids is fundamentally important. In addition to that it allows to address and solve many practical questions such as stability of equilibrium magnetic structures, designing of magnetic phase diagrams, the low-temperature spin dynamics, etc. The magnetic transition temperature is also related with the behavior of interatomic magnetic interactions. One of the most interesting classes of magnetic compounds, which exhibits the rich variety of the above-mentioned properties in the transition-metal oxides. There is no doubts that all these properties are related with details of the electronic structure. In the spin-density-functional theory (SDFT), underlying many modern first-principles electronic structure methods, there is a certain number of fundamental theorems, which in principles provides a solid theoretical basis for the analysis of the interatomic magnetic interactions. One of them is the magnetic force theorem, which connects the total energy change with the change of single-particle energies obtained from solution of the KohnSham equations for the ground state. The basic problem is that in practical implementations SDFT is always supplemented with additional approximations, such as local-spin-density approximation (LSDA), LSDA + Hubbard U , etc., which are not always adequate for the transition-metal oxides. Therefore, there is not perfect methods, and the electronic structure we typically have to deal with is always approximate. The main purpose of this article, is to show how this, sometimes very limited information about the electronic structure extracted from the conventional calculations can be used for the solution of several practical questions, accumulated in the field of magnetism of the transition-metal oxides. This point will be illustrated for colossal-magnetoresistive manganites, double perovskites, and magnetic pyrochlores. We will review both successes and traps existing in the first-principle electronic structure calculations, and make connections with the models which capture the basic physics of the considered compounds. Particularly, we will show what kind of problems can be solved by adding the Hubbard U term on the top of the LSDA description. It is by no means a panacea from all existing problems of LSDA, and one should clearly distinguish the cases when U is indeed indispensable, play a minor role, or may even lead to the systematic error.

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Section: Relation With the Models Of Magnetic Interactionsmentioning

confidence: 99%

Section: Relation With the Models Of Magnetic Interactionsmentioning

confidence: 99%

Section: Double Exchange Interactions In Cmr Manganitesmentioning

confidence: 99%

Section: Minimal Model For Cmr Manganitesmentioning

confidence: 99%

Section: +mentioning

confidence: 99%

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Magnetic Interactions in Transition‐Metal Oxides

Solovyev

2003

ChemInform

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On the competition between ferromagnetic and antiferromagnetic states in Sr2MnMoO6

Solovyev

2004

Journal of Magnetism and Magnetic Materials

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Epitaxial ferroelectric interfacial devices

Vaz

Bibès

Rabe

et al. 2021

Applied Physics Reviews

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Epitaxial ferroelectric interfacial devicesFerroelectric interfacial devices consist of materials systems whose interfacial electronic properties (such as a 2D electron gas or an interfacial magnetic spin configuration) are modulated by a ferroelectric layer set in its immediate vicinity. While the prototypical example of such a system is the ferroelectric field effect transistor first proposed in the 1950s, only with the recent advances in the controlled growth of epitaxial thin films and heterostructures, and the recent physical understanding down to the atomic scale of screening processes at ferroelectric-semiconducting and -metallic interfaces made possible by first principles calculations, have the conditions been met for a full development of the field. In this review, we discuss the recent advances in ferroelectric interfacial systems, with emphasis on the ferroelectric control of the electronic properties of interfacial devices with well ordered (epitaxial) interfaces. In particular, we consider the cases of ferroelectric interfacial systems aimed at controlling the correlated state, including superconductivity, Mott metallic-insulator transition, magnetism, charge, and orbital order, and charge and spin transport across ferroelectric tunnel junctions. The focus is on the basic physical mechanisms underlying the emergence of interfacial effects, the nature of the ferroelectric control of the electronic state, and the role of extreme electric field gradients at the interface in giving rise to new physical phenomena. Such understanding is key to the development of ferroelectric interfacial systems with characteristics suitable for next generation electronic devices based on controlling the correlated state of matter.

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Orbital Degeneracy and Magnetism of Perovskite Manganese Oxides

Cited by 10 publications

References 87 publications

Magnetic Interactions in Transition‐Metal Oxides

Magnetic Interactions in Transition‐Metal Oxides

On the competition between ferromagnetic and antiferromagnetic states in Sr2MnMoO6

Epitaxial ferroelectric interfacial devices

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