Fuks, D;
Dorfman, S;
Zhukovskii, YF;
Kotomin, EA;
Stoneham, AM;
(2002)
Effect of electron correlation corrections on phase competition in Ag film on MgO substrate.
Computational Materials Science
, 24
(1-2)
66 - 71.
10.1016/S0927-0256(02)00165-9.
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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.
| Type: | Article |
|---|---|
| Title: | Effect of electron correlation corrections on phase competition in Ag film on MgO substrate |
| Location: | STRASBOURG, FRANCE |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1016/S0927-0256(02)00165-9 |
| Publisher version: | http://dx.doi.org/10.1016/S0927-0256(02)00165-9 |
| Language: | English |
| Additional information: | Text made available to UCL Discovery by kind permission of Elsevier B.V., 2012 |
| Keywords: | Ab initio calculations, thermodynamics, growth, phase transition, METAL-CERAMIC INTERFACES, MGO(001) SURFACE, CORRELATION-ENERGY, MGO(100) SURFACE, OXIDE SURFACES, HARTREE-FOCK, DENSITY, ATOMS, ADSORPTION, ADHESION |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences |
| URI: | https://discovery.ucl.ac.uk/id/eprint/53159 |
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