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Statements

Subject Item
n2:RIV%2F68378271%3A_____%2F13%3A00398143%21RIV14-GA0-68378271
rdf:type
skos:Concept n7:Vysledek
rdfs:seeAlso
http://prb.aps.org/abstract/PRB/v88/i11/e115312
dcterms:description
The atomic structure of GaP(111)/Si(111), GaP(110)/Si(110), and GaP(113)/Si(113) heterointerfaces was studied by ab initio calculations employing the density functional theory (DFT). Relative formation energies were computed for the interface layers allowing for atomic intermixing. The application of the electron-counting model, a construction principle used for surface reconstructions, to the case of the GaP(111)/Si(111) interfaces leads to electronic compensation at the heterovalent interfaces and to a reduction of the interface formation energy. The specific equilibrium (111) interface reconstruction can be tuned by changing the chemical potential. The atomic structure of GaP(111)/Si(111), GaP(110)/Si(110), and GaP(113)/Si(113) heterointerfaces was studied by ab initio calculations employing the density functional theory (DFT). Relative formation energies were computed for the interface layers allowing for atomic intermixing. The application of the electron-counting model, a construction principle used for surface reconstructions, to the case of the GaP(111)/Si(111) interfaces leads to electronic compensation at the heterovalent interfaces and to a reduction of the interface formation energy. The specific equilibrium (111) interface reconstruction can be tuned by changing the chemical potential.
dcterms:title
Atomic and electronic structure of GaP/Si(111), GaP/Si(110), and GaP/Si(113) interfaces and superlattices studied by density functional theory Atomic and electronic structure of GaP/Si(111), GaP/Si(110), and GaP/Si(113) interfaces and superlattices studied by density functional theory
skos:prefLabel
Atomic and electronic structure of GaP/Si(111), GaP/Si(110), and GaP/Si(113) interfaces and superlattices studied by density functional theory Atomic and electronic structure of GaP/Si(111), GaP/Si(110), and GaP/Si(113) interfaces and superlattices studied by density functional theory
skos:notation
RIV/68378271:_____/13:00398143!RIV14-GA0-68378271
n7:predkladatel
n8:ico%3A68378271
n4:aktivita
n9:I n9:P
n4:aktivity
I, P(GPP204/10/P028)
n4:cisloPeriodika
11
n4:dodaniDat
n10:2014
n4:domaciTvurceVysledku
Romanyuk, Olexandr
n4:druhVysledku
n15:J
n4:duvernostUdaju
n19:S
n4:entitaPredkladatele
n17:predkladatel
n4:idSjednocenehoVysledku
62447
n4:idVysledku
RIV/68378271:_____/13:00398143
n4:jazykVysledku
n16:eng
n4:klicovaSlova
GaP; heterointerface structure; DFT
n4:klicoveSlovo
n14:heterointerface%20structure n14:GaP n14:DFT
n4:kodStatuVydavatele
US - Spojené státy americké
n4:kontrolniKodProRIV
[6A780D3FF785]
n4:nazevZdroje
Physical Review. B
n4:obor
n11:BM
n4:pocetDomacichTvurcuVysledku
1
n4:pocetTvurcuVysledku
3
n4:projekt
n12:GPP204%2F10%2FP028
n4:rokUplatneniVysledku
n10:2013
n4:svazekPeriodika
88
n4:tvurceVysledku
Hannappel, T. Romanyuk, Olexandr Grosse, F.
n4:wos
000324690400006
s:issn
1098-0121
s:numberOfPages
8
n18:doi
10.1103/PhysRevB.88.115312