4.6 Article

On the calculation of exchange interactions in metals

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JOURNAL OF APPLIED PHYSICS
卷 99, 期 8, 页码 -

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AMER INST PHYSICS
DOI: 10.1063/1.2176392

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We describe techniques to determine magnetic exchange parameters using modern band structure methods. The analytical and numerical implementations of the linear-response method are discussed. The applications of the presented technique have been done for 3d ferromagnets. Our results point out difficulties in defining a pairwise exchange coupling for itinerant magnets, while for systems with localized moments the traditional adiabatic approach is mostly valid. (C) 2006 American Institute of Physics.

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