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Regensburg 2004 – scientific programme

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MA: Magnetismus

MA 8: Elektronentheorie

MA 8.7: Talk

Monday, March 8, 2004, 17:15–17:30, H22

Magnetic and elastic properties of YCo5 under pressure — •Daniela Koudela1, Ingo Opahle1, Manuel Richter1, Klaus Koepernik1, Ulrike Nitzsche1, Helge Rosner2, Michael Kuzmin3, and Helmut Eschrig11IFW Dresden, PF 270116, 01171 Dresden — 2MPI-cPfS Dresden, Nöthnitzer Straße 40, 01187 Dresden — 3Instituto de Ciencia de Materiales de Aragon, Zaragoza; Spain

We computed the total energy and the magnetic moment of YCo5 in dependence of the lattice parameters. Our calculations are based on density functional theory in the local spin density approximation. In accordance with earlier calculations of Yamada et al. [J. Phys.: Condens. Matter 11 (1999) 483] we find a transition from high spin to low spin under applied pressure. On the other hand our calculations show a strong dependence of the magnetic moment on volume in the low spin state close to the transition volume not observed by the previous authors. This is connected with a change in the bulk modulus from about 200 GPa to 60 GPa at the transition, which takes place at a pressure of about 9 GPa. The calculations were done with the full-potential local-orbital method (FPLO).

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