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

Journal Article · Wed Feb 15 04:00:00 EST 1995 · Physical Review, B: Condensed Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.51.5408· OSTI ID:6608719

Wu, R; Freeman, A J ^[1]

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1. Department of Physics and Astronomy, Northwestern University, Evanston, Illinois 60208 (United States)

Structural, electronic, and magnetic properties of metal-ceramic interfaces, [ital M]/MgO(001) ([ital 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 [ital B]] and 1.21[mu][sub [ital B]] for Ru and Rh, respectively)---indicating, in principle, the potential application of MgO(001) as a benign substrate for 4[ital d] monolayer magnetism. Significantly, according to our atomic-force determinations, the metal overlayers induce a sizable [ital buckling] reconstruction in the interfacial MgO layer, which enhances the [ital M]-MgO binding energy by 0.1 eV. The weak [ital M]-O interaction is mainly via tail effects; however, it affects the density of states at the Fermi level for Pd/MgO(001) significantly and completely eliminates the small magnetic moment of the free Pd monolayer (0.34[mu][sub [ital B]]).

• DOE Contract Number: FG02-88ER45372
• OSTI ID: 6608719
• Journal Information: Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 51:8; ISSN PRBMDO; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ALKALINE EARTH METAL COMPOUNDS
BINDING ENERGY
CHALCOGENIDES
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY
ENERGY LEVELS
ENERGY-LEVEL DENSITY
FERMI LEVEL
INTERFACES
MAGNESIUM COMPOUNDS
MAGNESIUM OXIDES
MAGNETIC MOMENTS
MAGNETIC PROPERTIES
METALS
OXIDES
OXYGEN COMPOUNDS
PALLADIUM
PHYSICAL PROPERTIES
PLATINUM METALS
RHODIUM
RUTHENIUM
TRANSITION ELEMENTS