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|
Ferromagnetism in hexagonal close-packed
Institute of Physics, Technische Universität Clausthal D-38678 Clausthal-Zellerfeld, Germany
2 Department of Physics, University of South Africa - Unisa 0003, South Africa
Corresponding author: firstname.lastname@example.org
Accepted: 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 .
PACS: 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
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