Metal-ceramic interfaces: Overlayer-induced reconstruction and magnetism of 4d transition-metal monolayers

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Structural, electronic, and magnetic properties of metal-ceramic interfaces, M/MgO(001) (M=Pd, Rh, and Ru), have been investigated using the full potential linearized augmented-plane-wave method. Ru and Rh monolayers are found to be able to retain large spin magnetic moments on MgO(001) (1.95 {mu}{sub B} and 1.21 {mu}{sub B} for Ru and Ph; respectively) -- indicating, in principle, the potential application of MgO(001) as a benign substrate for 4d monolayer magnetism. Significantly, according to our atomic-force determinations, the metal overlayers induce a sizable buckling reconstruction in the interfacial MgO layer, which enhances the M-MgO binding energy by 0.1 eV. The weak M-0 ... continued below

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4 p.

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Wu, R. & Freeman, A.J. February 15, 1995.

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Description

Structural, electronic, and magnetic properties of metal-ceramic interfaces, M/MgO(001) (M=Pd, Rh, and Ru), have been investigated using the full potential linearized augmented-plane-wave method. Ru and Rh monolayers are found to be able to retain large spin magnetic moments on MgO(001) (1.95 {mu}{sub B} and 1.21 {mu}{sub B} for Ru and Ph; respectively) -- indicating, in principle, the potential application of MgO(001) as a benign substrate for 4d monolayer magnetism. Significantly, according to our atomic-force determinations, the metal overlayers induce a sizable buckling reconstruction in the interfacial MgO layer, which enhances the M-MgO binding energy by 0.1 eV. The weak M-0 interaction is mainly via tail effects; however, it affects the density of states at the Fermi level for Pd/Mg0(001) significantly and completely eliminates the small magnetic moment of the free Pd monolaver (0.34{mu}{sub B}).

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4 p.

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OSTI as DE95011543

Medium: P; Size: 4 p.

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  • Other Information: PBD: 15 Feb 1995

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  • Other: DE95011543
  • Report No.: DOE/ER--45372-8
  • Grant Number: FG02-88ER45372
  • DOI: 10.2172/69417 | External Link
  • Office of Scientific & Technical Information Report Number: 69417
  • Archival Resource Key: ark:/67531/metadc709181

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  • February 15, 1995

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  • Sept. 12, 2015, 6:31 a.m.

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  • April 13, 2017, 12:22 p.m.

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Wu, R. & Freeman, A.J. Metal-ceramic interfaces: Overlayer-induced reconstruction and magnetism of 4d transition-metal monolayers, report, February 15, 1995; United States. (digital.library.unt.edu/ark:/67531/metadc709181/: accessed August 21, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.