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

David Fuks; Simon Dorfman; Yuri F. Zhukovskii; Eugene A. Kotomin; A. Marshall Stoneham

doi:10.1016/S0927-0256(02)00165-9

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

David Fuks
, Simon Dorfman
, Yuri F. Zhukovskii
, Eugene A. Kotomin
, A. Marshall Stoneham

Department of Materials Engineering

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

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.

Original language	English
Pages (from-to)	66-71
Number of pages	6
Journal	Computational Materials Science
Volume	24
Issue number	1-2
DOIs	https://doi.org/10.1016/S0927-0256(02)00165-9
State	Published - 1 May 2002

Keywords

Ab initio calculations
Growth
Phase transition
Thermodynamics

ASJC Scopus subject areas

General Computer Science
General Chemistry
General Materials Science
Mechanics of Materials
General Physics and Astronomy
Computational Mathematics

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10.1016/S0927-0256(02)00165-9

Cite this

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title = "Effect of electron correlation corrections on phase competition in Ag film on MgO substrate",

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 = "Ab initio calculations, Growth, Phase transition, Thermodynamics",

author = "David Fuks and Simon Dorfman and Zhukovskii, \{Yuri F.\} and Kotomin, \{Eugene A.\} and \{Marshall Stoneham\}, A.",

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doi = "10.1016/S0927-0256(02)00165-9",

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T1 - Effect of electron correlation corrections on phase competition in Ag film on MgO substrate

AU - Fuks, David

AU - Dorfman, Simon

AU - Zhukovskii, Yuri F.

AU - Kotomin, Eugene A.

AU - Marshall Stoneham, A.

PY - 2002/5/1

Y1 - 2002/5/1

N2 - 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.

AB - 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.

KW - Ab initio calculations

KW - Growth

KW - Phase transition

KW - Thermodynamics

UR - https://www.scopus.com/pages/publications/0036577766

U2 - 10.1016/S0927-0256(02)00165-9

DO - 10.1016/S0927-0256(02)00165-9

M3 - Article

AN - SCOPUS:0036577766

SN - 0927-0256

VL - 24

SP - 66

EP - 71

JO - Computational Materials Science

JF - Computational Materials Science

IS - 1-2

ER -

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

Abstract

Keywords

ASJC Scopus subject areas

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