Europhys. Lett., 63 (1) , pp. 90-99 (2003)
Ferromagnetism in hexagonal close-packedE. Hüger1 and K. Osuch2
1 Institute of Physics, Technische Universität Clausthal D-38678 Clausthal-Zellerfeld, Germany
2 Department of Physics, University of South Africa - Unisa 0003, South Africa
(Received 18 November 2002; accepted in final form 29 April 2003)
We present theoretical and experimental data concerning the possibility of ferromagnetic order in bulk palladium. First principles, self-consistent DFT calculations including spin-orbit coupling performed at 0 show that ferromagnetism occurs in bulk at the optimum lattice constant if is in a hexagonal close-packed (hcp) phase modification. In this phase has, in comparison to in its natural non-magnetic face-centred (fcc) structure, flatter bands at the Fermi level, fulfilling the Stoner criterion for ferromagnetism. We identify these bands in the bulk band structure and probe them with angle-resolved ultraviolet photo-electron spectroscopy in ( ) oriented hexagonal close-packed films deposited on .
71.15.Mb - Density functional theory, local density approximation, gradient and other corrections.
82.80.Pv - Electron spectroscopy (X-ray photoelectron (XPS), Auger electron spectroscopy (AES), etc.).
© EDP Sciences 2003