The magnetic properties of Ce/Pd surface alloys investigated using DFT

I.G. Shuttleworth

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

The surface alloys that form between Ce and Pd(1 1 1), Pd(1 0 0) and both unreconstructed and missing-row type Pd(1 1 0) at low Ce coverage ( θCe=19ML) have shown permanent magnetism that is mediated in part by an RKKY-like delocalized Ce 6s-Pd 5s interaction. The Pd 4d states are significantly affected by alloying and their behavior cannot be explained by a purely spin-dependent Hamiltonian. Experimental observations of changes to the Pd 4d states are explained and the implications of Ce/Pd magnetism in reforming catalysis are discussed. © 2014 Elsevier B.V. All rights reserved.
Original languageEnglish (US)
Pages (from-to)5-9
Number of pages5
JournalChemical Physics Letters
Volume605-606
DOIs
StatePublished - Jun 2014
Externally publishedYes

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