Atomic and electronic structure of GaP/Si(111), GaP/Si(110), and GaP/Si(113) interfaces and superlattices studied by density functional theory
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F13%3A00398143" target="_blank" >RIV/68378271:_____/13:00398143 - isvavai.cz</a>
Result on the web
<a href="http://prb.aps.org/abstract/PRB/v88/i11/e115312" target="_blank" >http://prb.aps.org/abstract/PRB/v88/i11/e115312</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.88.115312" target="_blank" >10.1103/PhysRevB.88.115312</a>
Alternative languages
Result language
angličtina
Original language name
Atomic and electronic structure of GaP/Si(111), GaP/Si(110), and GaP/Si(113) interfaces and superlattices studied by density functional theory
Original language 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 toa reduction of the interface formation energy. The speci?c equilibrium (111) interface reconstruction can be tuned by changing the chemical potential.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GPP204%2F10%2FP028" target="_blank" >GPP204/10/P028: Electron energy losses at solid surfaces</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review. B
ISSN
1098-0121
e-ISSN
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Volume of the periodical
88
Issue of the periodical within the volume
11
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
"115312-1"-"115312-8"
UT code for WoS article
000324690400006
EID of the result in the Scopus database
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