Title of article
Effect of electron correlation corrections on phase competition in Ag film on MgO substrate
Author/Authors
Fuks، نويسنده , , David M. Dorfman، نويسنده , , Simon and Zhukovskii، نويسنده , , Yuri F. and Kotomin، نويسنده , , Eugene A. and Marshall Stoneham، نويسنده , , A.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2002
Pages
6
From page
66
To page
71
Abstract
The effect of electron correlation corrections in the novel theory predicting the growth mode of a thin metallic film on an insulating substrate has been studied. We discuss the influence of the substrate slab thickness on the energies of formation for several two-dimensional phases, which, in principle, may form in Ag layer on (0 0 1) MgO substrate. We analyze also the sensitivity of the key energy parameter––Fourier transform of the mixing potential V(0) to the choice of correlation functionals.
Keywords
Thermodynamics , Growth , Ab initio calculations , phase transition
Journal title
Computational Materials Science
Serial Year
2002
Journal title
Computational Materials Science
Record number
1679320
Link To Document