Issue |
Europhys. Lett.
Volume 67, Number 1, July 2004
|
|
---|---|---|
Page(s) | 90 - 95 | |
Section | Condensed matter: electronic structure, electrical, magnetic, and optical properties | |
DOI | https://doi.org/10.1209/epl/i2004-10036-6 | |
Published online | 01 June 2004 |
Spin-polarized Shockley state at free surface and at -–based structures on surface
1
LEPES-CNRS - BP 166, 38042 Grenoble cedex 9, France
2
LPM2C-CNRS - BP 166, 38042 Grenoble cedex 9, France
3
IPN, EPFL - 1015 Lausanne, Switzerland
Received:
4
February
2004
Accepted:
16
April
2004
The electronic structure of and free surfaces and of - structures on the (111) surface is studied from ab initio calculations. Systems ending on a layer are found to be magnetic. The spin splitting of the d band raises the position of some minority states which then lie in the energy range where the Shockley state should appear. This results in a strong sp-d hybridization of the spin-down components which furthermore depends on the k momentum. As a result, the Shockley state of -terminated surfaces is spin polarized. The ab initio results are compared to recent STM experiments.
PACS: 73.20.At – Surface states, band structure, electron density of states / 71.20.Be – Transition metals and alloys / 71.15.Mb – Density functional theory, local density approximation, gradient and other corrections
© EDP Sciences, 2004
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