Computational observation of the strengthening of Cu/TiN metal/ceramic interfaces by sub-nanometer interlayers and dopants

2021 ◽  
Vol 554 ◽  
pp. 149562
Author(s):  
Abu Shama Mohammad Miraz ◽  
W.J. Meng ◽  
Bala R. Ramachandran ◽  
Collin D. Wick
2003 ◽  
Vol 94 (3) ◽  
pp. 272-276 ◽  
Author(s):  
Amir Avishai ◽  
Christina Scheu ◽  
Wayne D. Kaplan

1991 ◽  
Vol 238 ◽  
Author(s):  
Young Keun Kim ◽  
Michael E. McHenry ◽  
Manuel P. Oliveria ◽  
Mark E. Eberhart

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.


1998 ◽  
pp. 377-384
Author(s):  
P. Xiao ◽  
B. Derby ◽  
J. Webster ◽  
J. Penfold

Author(s):  
M.W. Finnis ◽  
A.M. Stoneham ◽  
P.W. Tasker

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