Energetics, bonding mechanism, and electronic structure of metal-ceramic interfaces: Ag/MgO(001)

1993 ◽  
Vol 48 (11) ◽  
pp. 8317-8322 ◽  
Author(s):  
Chun Li ◽  
Ruqian Wu ◽  
A. J. Freeman ◽  
C. L. Fu
Keyword(s):  
Electronic Structure ◽  
Bonding Mechanism ◽  
Structure Of Metal ◽  
Metal Ceramic ◽  
Ceramic Interfaces

scholarly journals Electronic structure of metal-ceramic interfaces.

1990 ◽  
Vol 30 (12) ◽  
pp. 1059-1065 ◽  
Author(s):  
Fumio S. Ohuchi ◽  
Qian Zhong
Keyword(s):  
Electronic Structure ◽  
Structure Of Metal ◽  
Metal Ceramic ◽  
Ceramic Interfaces

Interface Electronic And Magnetic Structures Of Layered Fe In Contact With MgO

1991 ◽  
Vol 238 ◽  
Author(s):  
Young Keun Kim ◽  
Michael E. McHenry ◽  
Manuel P. Oliveria ◽  
Mark E. Eberhart
Keyword(s):  
First Principles ◽  
State Of The Art ◽  
Magnetic Moments ◽  
Magnetic Structures ◽  
Consistent Field ◽  
Structure Of Metal ◽  
Metal Ceramic ◽  
Layer Technique ◽  
Self Consistent Field ◽  
Ceramic Interfaces

ABSTRACTA model based on the state-of-the-art, first-principles layer Korringa-Kohn-Rostoker (LKKR) method has proven to be very effective in describing the electronic and magnetic structure of metal/ceramic interfaces. We have performed self-consistent field computations incorporating spin polarization both for Fe/MgO superlattice (bulk technique) and for MgO/Fe/MgO sandwich (layer technique) systems. Muffin-tin potentials were employed for both materials in our computations. Iron layer was embedded in MgO, the host material, to have a [110](100)Fe / [100](100)MgO contact configuration. A large enhancement of magnetic moments has been found at the interface.

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