Europhys. Lett.
Volume 63, Number 1, July 2003
Page(s) 90 - 96
Section Condensed matter: electronic structure, electrical, magnetic, and optical properties
Published online 01 June 2003
DOI: 10.1209/epl/i2003-00482-6
Europhys. Lett., 63 (1) , pp. 90-99 (2003)

Ferromagnetism in hexagonal close-packed $\chem{Pd}$

E. 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 $\un{K}$ show that ferromagnetism occurs in bulk $\chem{Pd}$ at the optimum lattice constant if $\chem{Pd}$ is in a hexagonal close-packed (hcp) phase modification. In this phase $\chem{Pd}$ has, in comparison to $\chem{Pd}$ 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 ( $11\bar{2}0$) oriented hexagonal close-packed $\chem{Pd}$ films deposited on $\chem{W(100)}$.

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