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Spin-polarized Shockley state at Ni(111) free surface and at Ni-Cu–based structures on Cu(111) surface

Spin-polarized Shockley state at Ni(111) free surface and at Ni-Cu–based structures on Cu(111) surface

Authors :
Stéphane Pons
Jean-Yves Veuillen
Pierre Mallet
A Pasturel
Laurence Magaud
Laboratoire d'Etudes des Propriétés Electroniques des Solides (LEPES)
Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique de Grenoble (INPG)-Université Joseph Fourier - Grenoble 1 (UJF)
Source :
EPL-Europhysics Letters, EPL-Europhysics Letters, European Physical Society/EDP Sciences/Società Italiana di Fisica/IOP Publishing, 2004, 67 (1), pp.90-95. ⟨10.1209/epl/i2004-10036-6⟩
Publication Year :
2004
Publisher :
IOP Publishing, 2004.

Abstract

The electronic structure of Cu(111) and Ni(111) free surfaces and of Ni-Cu structures on the Cu (111) surface is studied from ab initio calculations. Systems ending on a Ni layer are found to be magnetic. The spin splitting of the Ni d band raises the position of some minority Ni dxz,yz 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 Ni-terminated surfaces is spin polarized. The ab initio results are compared to recent STM experiments.

Details

ISSN :
12864854 and 02955075
Volume :
67
Database :
OpenAIRE
Journal :
Europhysics Letters (EPL)
Accession number :
edsair.doi.dedup.....4b7d1d450ea624b5ce953182dc711072
Full Text :
https://doi.org/10.1209/epl/i2004-10036-6