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      Electronic, magnetic and transport properties of rare-earth monopnictides

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          Abstract

          The electronic structures and magnetic properties of many rare-earth monopnictides are reviewed in this article. Possible candidate materials for spintronics devices from the rare-earth monopnictide family, i.e. high polarization (nominally half-metallic) ferromagnets and antiferromagnets, are identified. We attempt to provide a unified picture of the electronic properties of these strongly correlated systems. The relative merits of several ab initio theoretical methods, useful in the study of the rare-earth monopnictides, are discussed. We present our current understanding of the possible half-metallicity, semiconductor-metal transitions, and magnetic orderings in the rare-earth monopnictides. Finally, we propose some potential strategies to improve the magnetic and electronic properties of these candidate materials for spintronics devices.

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          Is Open Access

          Maximally-localized generalized Wannier functions for composite energy bands

          We discuss a method for determining the optimally-localized set of generalized Wannier functions associated with a set of Bloch bands in a crystalline solid. By ``generalized Wannier functions'' we mean a set of localized orthonormal orbitals spanning the same space as the specified set of Bloch bands. Although we minimize a functional that represents the total spread sum_n [ _n - _n^2 ] of the Wannier functions in real space, our method proceeds directly from the Bloch functions as represented on a mesh of k-points, and carries out the minimization in a space of unitary matrices U_mn^k describing the rotation among the Bloch bands at each k-point. The method is thus suitable for use in connection with conventional electronic-structure codes. The procedure also returns the total electric polarization as well as the location of each Wannier center. Sample results for Si, GaAs, molecular C2H4, and LiCl will be presented.
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            Electron Correlations in Narrow Energy Bands. III. An Improved Solution

            J. Hubbard (1964)
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              New Approach to the Theory of Superexchange Interactions

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                Author and article information

                Journal
                Journal of Physics: Condensed Matter
                J. Phys.: Condens. Matter
                IOP Publishing
                0953-8984
                1361-648X
                August 08 2007
                August 08 2007
                July 04 2007
                : 19
                : 31
                : 315220
                Article
                10.1088/0953-8984/19/31/315220
                21694120
                0d7254ee-ffbf-4b02-b547-187589a1e4e7
                © 2007
                History

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