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

^*Šī darba korespondējošais autors

Pašorganizēto sistēmu kinētikas laboratorija, Cietvielu fizikas institūts

Ben-Gurion University of the Negev
Technion-Israel Institute of Technology
Northwestern University
University of Latvia
University College London
Max Planck Institute for Solid State Research

Zinātniskās darbības rezultāts: Devums žurnālam › Zinātniskais raksts (žurnālā) › koleģiāli recenzēts

5 Atsauces (Scopus)

Kopsavilkums

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.

Oriģinālvaloda	Angļu
Lapas (no-līdz)	66-71
Lapu skaits	6
Žurnāls	Computational Materials Science
Sējums	24
Izdevuma numurs	1-2
DOIs	https://doi.org/10.1016/S0927-0256(02)00165-9
Publikācijas statuss	Publicēts - maijs 2002

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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.",

year = "2002",

month = may,

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

language = "English",

volume = "24",

pages = "66--71",

journal = "Computational Materials Science",

issn = "0927-0256",

publisher = "Elsevier B.V.",

number = "1-2",

}

TY - JOUR

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

Y1 - 2002/5

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

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