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Orbital magnetization
About: Orbital magnetization is a research topic. Over the lifetime, 1237 publications have been published within this topic receiving 35373 citations.
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TL;DR: In this paper, the authors present a survey of the use of Wannier functions in the context of electronic-structure theory, including their applications in analyzing the nature of chemical bonding, or as a local probe of phenomena related to electric polarization and orbital magnetization.
Abstract: The electronic ground state of a periodic system is usually described in terms of extended Bloch orbitals, but an alternative representation in terms of localized "Wannier functions" was introduced by Gregory Wannier in 1937. The connection between the Bloch and Wannier representations is realized by families of transformations in a continuous space of unitary matrices, carrying a large degree of arbitrariness. Since 1997, methods have been developed that allow one to iteratively transform the extended Bloch orbitals of a first-principles calculation into a unique set of maximally localized Wannier functions, accomplishing the solid-state equivalent of constructing localized molecular orbitals, or "Boys orbitals" as previously known from the chemistry literature. These developments are reviewed here, and a survey of the applications of these methods is presented. This latter includes a description of their use in analyzing the nature of chemical bonding, or as a local probe of phenomena related to electric polarization and orbital magnetization. Wannier interpolation schemes are also reviewed, by which quantities computed on a coarse reciprocal-space mesh can be used to interpolate onto much finer meshes at low cost, and applications in which Wannier functions are used as efficient basis functions are discussed. Finally the construction and use of Wannier functions outside the context of electronic-structure theory is presented, for cases that include phonon excitations, photonic crystals, and cold-atom optical lattices.
2,217 citations
TL;DR: A new magneto-optical sum rule is derived for circular magnetic dichroism in the x-ray region (CMXD) and applications are discussed to transition-metal and rare-earth magnetic systems.
Abstract: A new magneto-optical sum rule is derived for circular magnetic dichroism in the x-ray region (CMXD). The integral of the CMXD signal over a given edge allows one to determine the ground-state expectation value of the orbital angular momentum. Applications are discussed to transition-metal and rare-earth magnetic systems.
2,041 citations
TL;DR: An overview is given here on this "orbital physics," which will be a key concept for the science and technology of correlated electrons.
Abstract: An electron in a solid, that is, bound to or nearly localized on the specific atomic site, has three attributes: charge, spin, and orbital. The orbital represents the shape of the electron cloud in solid. In transition-metal oxides with anisotropic-shaped d-orbital electrons, the Coulomb interaction between the electrons (strong electron correlation effect) is of importance for understanding their metal-insulator transitions and properties such as high-temperature superconductivity and colossal magnetoresistance. The orbital degree of freedom occasionally plays an important role in these phenomena, and its correlation and/or order-disorder transition causes a variety of phenomena through strong coupling with charge, spin, and lattice dynamics. An overview is given here on this "orbital physics," which will be a key concept for the science and technology of correlated electrons.
1,916 citations
TL;DR: In this paper, it was suggested that in many ferromagnetic materials there may occur particles distinct in magnetic character from the general matrix, and below the critical size, depending on shape, for which domain boundary formation is energetically possible.
Abstract: It is suggested that in many ferromagnetic materials there may occur particles distinct in magnetic character from the general matrix, and below the critical size, depending on shape, for which domain boundary formation is energetically possible. For such single-domain particles, change of magnetization can take place only by rotation of the magnetization vector. As the field changes continuously, the resolved magnetization may change discontinuously at critical values of the field. The character of the magnetization curves depends on the degree of magnetic anisotropy of the particle and on the orientation of easy axes with respect to the field. The magnetic anisotropy may arise from the shape of the particle, from magnetocrystalline effects, and from strain. A detailed quantitative treatment is given of the effect of shape anisotropy when the particles have the form of ellipsoids of revolution, along with a less detailed treatment for the general ellipsoidal form.
1,401 citations
TL;DR: In this article, the role of spin pumping in layered structures is discussed and the main body of the theory is semiclassical and based on a mean-field Stoner or spin-density functional picture, but quantum-size effects and electron-electron correlations are also discussed.
Abstract: Two complementary effects modify the GHz magnetization dynamics of nanoscale heterostructures of ferromagnetic and normal materials relative to those of the isolated magnetic constituents. On the one hand, a time-dependent ferromagnetic magnetization pumps a spin angular-momentum flow into adjacent materials and, on the other hand, spin angular momentum is transferred between ferromagnets by an applied bias, causing mutual torques on the magnetizations. These phenomena are manifestly nonlocal: they are governed by the entire spin-coherent region that is limited in size by spin-flip relaxation processes. This review presents recent progress in understanding the magnetization dynamics in ferromagnetic heterostructures from first principles, focusing on the role of spin pumping in layered structures. The main body of the theory is semiclassical and based on a mean-field Stoner or spin-density-functional picture, but quantum-size effects and the role of electron-electron correlations are also discussed. A growing number of experiments support the theoretical predictions. The formalism should be useful for understanding the physics and for engineering the characteristics of small devices such as magnetic random-access memory elements.
1,051 citations