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Dresden 2006 – scientific programme

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MA: Magnetismus

MA 26: Electron Theory

MA 26.4: Talk

Thursday, March 30, 2006, 11:00–11:15, HSZ 401

Spontaneous magnetostriction in elemental ferromagnets investigated with a DLM approach — •Ulrike Nitzsche, Manuel Richter, Klaus Koepernik, and Helmut Eschrig — IFW Dresden, P.O. Box 270116, D-01171 Dresden, Germany

The large change of lattice parameters caused by magnetic order of elemental hcp Gd was been a subject of intensive studies in the past. In several ab-initio calculations the value of the spontaneous volume magnetostriction of Gd was overestimated by a factor of 2 to 4. An important point is the modelling of the paramagnetic state of Gd above TC characterized by the non-vanishing fluctuating f-moments. Besides the usually used method to model this state by a supercell with ordered antiferromagnetic spin configurations one can simulate the magnetic disorder in the paramagnetic state by disordered local moments (DLM) within the coherent potential approximation (CPA).
Up to now no comparison of both models has been published using the same numerical method. Aim of this talk is to investigate the influence of the different models for the paramagnetic state on the value of the spontaneous magnetostriction for the elemental ferromagnets Gd, Fe and Ni. Additional contributions to the spontaneous magnetostriction are discussed.

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