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Journal Article

Effect of electron correlation corrections on phase competition in Ag film on MgO substrate

MPS-Authors
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Fuks,  D.
Department Physical Chemistry of Solids (Joachim Maier), Max Planck Institute for Solid State Research, Max Planck Society;

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Dorfman,  S.
Department Physical Chemistry of Solids (Joachim Maier), Max Planck Institute for Solid State Research, Max Planck Society;

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Zhukovskii,  Y. F.
Department Physical Chemistry of Solids (Joachim Maier), Max Planck Institute for Solid State Research, Max Planck Society;

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Kotomin,  E. A.
Department Physical Chemistry of Solids (Joachim Maier), Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Fuks, D., Dorfman, S., Zhukovskii, Y. F., Kotomin, E. A., & Stoneham, A. M. (2002). Effect of electron correlation corrections on phase competition in Ag film on MgO substrate. Computational Materials Science, 24(1-2), 66-71.


Cite as: https://hdl.handle.net/21.11116/0000-000E-F215-9
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) over tilde (0) to the choice of
correlation functionals. (C) 2002 Elsevier Science B.V. All
rights reserved.