Browsing by Author "Dietermann, Frank"
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Item Open Access Behandlung stark nichtkollinearer Magnetisierungsstrukturen mit der Spin-Cluster Entwicklung(2012) Dietermann, Frank; Fähnle, Manfred (Prof. Dr.)The adiabatic magnetic exchange energy of alpha and gamma iron is investigated within the linear model of a spin-cluster expansion obtained from density functional theory (DFT) calculations. It is shown that the spin-cluster expansion represents a considerable improvement over the commonly used extended heisenberg model, to the point where the accuracy of the model is comparable to that of DFT calculations. The extension of the model to other transition metals and the thereby arising problems are discussed briefly.