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Spin-Polarized Electronic Structure, Arti Kashyap, Renat F. Sabirianov, Sitaram S, Jaswal

Physics Faculty Publications

This chapter is devoted to the electronic structure of nanoscale metallic magnets. After an introduction to methods of electronic structure calculations, we review how recent trends translate into the description of magnetic nanostructures. Among the considered structures are nanowires, small particles, surfaces and interfaces, and multilayers, and emphasis is on magnetic properties such as moment and magnetization, interatomic exchange, and anisotropy. One of the goals of computational nanoscience is to calculate physical and chemical properties from first principles. This requires the knowledge of the electronic structures of the materials system in question. The density-functional theory (DFT) makes a huge step …