Ferromagnetism in hexagonal close-packed

E. Hüger; K. Osuch

doi:10.1209/epl/i2003-00482-6

All issues

Volume 63 / No 1 (July 2003)

Europhys. Lett., 63 1 (2003) 90-96

Abstract

Issue		Europhys. Lett. Volume 63, Number 1, July 2003


Page(s)		90 - 96
Section		Condensed matter: electronic structure, electrical, magnetic, and optical properties
DOI		https://doi.org/10.1209/epl/i2003-00482-6
Published online		01 June 2003

Europhys. Lett., 63 (1), pp. 90-96 (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

Corresponding author: osuchk@harry.unisa.ac.za

Received: 18 November 2002
Accepted: 29 April 2003

Abstract

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 $\chem{W(100)}$ .

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.)

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