TY - JOUR
T1 - Metal-ceramic interfaces
T2 - Overlayer-induced reconstruction and magnetism of 4d transition-metal monolayers
AU - Wu, Ruqian
AU - Freeman, A. J.
PY - 1995
Y1 - 1995
N2 - 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) (1.95B and 1.21B for Ru and Rh, 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-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 (0.34B).
AB - 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) (1.95B and 1.21B for Ru and Rh, 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-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 (0.34B).
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U2 - 10.1103/PhysRevB.51.5408
DO - 10.1103/PhysRevB.51.5408
M3 - Article
AN - SCOPUS:0001142776
SN - 0163-1829
VL - 51
SP - 5408
EP - 5411
JO - Physical Review B
JF - Physical Review B
IS - 8
ER -