Electronic Structure and Magnetism of Complex Materials
Preface
Magnetism is today properly in the forefront of materials research. Key technologies depend on advances in magnetic materials and their manipulation. Magnetic storage devices and media are expected to approach fundamental materials-related limits in a few years time. Meanwhile, the development of "spintronic" technologies, integrating magnetism with microelectronics, also faces important challenges due to the presently incomplete understanding of the role of atomic-scale effects in device structures, as well as the need for better materials. Advances in theoretical understanding and computational infrastructure are making possible ever more reliable, material-specific modeling of magnetic materials and phenomena. At the same time, advances in experimental characterization, especially at low temperatures in high fields, as well as in the synthesis of novel magnetic phases, has revealed much rich, unanticipated physics in the last decade. Some examples are high Curie temperature magnetic semiconductors, the exquisitely intricate interplay of charge, spin, and lattice degrees of freedom in manganites, the strong renormalizations and triplet superconductivity seen in ruthenates, and the complex phenomena arising in non-collinear spin systems. Theory, analytic and computational, is already playing an important role in unravelling the physics of magnetic materials and nanostructures. Clearly, the convergences mentioned above will lead to an increasingly important role for microscopic material-specific theory in the development of novel magnetic materials, in the understanding of magnetism in materials and in its exploitation in technology. This book reviews selected new areas of magnetism from the viewpoint of material-specific theory. It is not an attempt to cover all of the important areas of magnetism, but rather is focused on some of the topics of most recent current interest. The chapters are divided into two groups: (1) fundamental microseopie theory - discussing mainly magnetocrystalline and related spin-orbit effects, non-collinear magnetism and magnetic excitations; and (2) specific materials classes - covering magnetic semiconductors and perovskitederived manganites and ruthenates.
Washington, D.C. December 2002
David J. Singh Dimitrios A. Papaconstantopoulos
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Contents
1 Low-Lying Magnetic Excitations in Itinerant Systems: SDFT Calculations
S. Halilov . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1
2 Calculation of Magneto-crystalline Anisotropy in Transition Metals H.J.F. Jansen, G.S. Schneider, H.Y. Wang ......................... 57
3 Electronic Structure and Magnetism of Correlated Systems: Beyond LDA A.I. Lichtenstein, V.I. Anisimov, M.l. Katsnelson ................... 101
4 Ferromagnetism in (III,Mn)V Semiconductors J. Kƶnig, J. Schliemann, T. Jungwirth, A.H. MacDonald ............. 163
5 Noncollinear Magnetism in Systems with Relativistic Interactions L. Sandratskii .................................................. 213
6 Orbital Degeneracy and Magnetism of Perovskite Manganese Oxides 1. Solovyev and K. Terakura. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 253
7 Magnetism in Ruthenates D.J. Singh ..................................................... 297
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