Identification of Binding Sites and Determination of Binding Energies of a Ga Adatom on the GaAs(001)–c(4 × 4) –Heterodimer Surface: A First-Principles Study
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University of Toledo / OhioLINK
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| Online Access: | http://rave.ohiolink.edu/etdc/view?acc_num=toledo1324929790 |
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ndltd-OhioLink-oai-etd.ohiolink.edu-toledo13249297902021-08-03T06:08:03Z Identification of Binding Sites and Determination of Binding Energies of a Ga Adatom on the GaAs(001)–c(4 × 4) –Heterodimer Surface: A First-Principles Study Aravelli, Sandeep Binding sites c(4x4) heterodimer GaAs (001)–c(4 × 4) reconstruction surface is one of the frequently encountered surfaces during growth in molecular beam epitaxy (MBE) under As-rich conditions. It has been widely used as a substrate for fabrication of nanostructured semiconductor devices. A new structure model for GaAs (001)–c(4 × 4) reconstruction with three Ga-As dimers on the surface was recently proposed. This model was found experimentally by using rocking-curve analysis of reflection high-energy electron diffraction, scanning tunneling microscopy and reflectance difference spectroscopy. This model was referred as c(4 × 4) –heterodimer (hd) reconstruction. Energetics of this reconstructed surface have to be carefully studied and can be used to gain the control over the surface during MBE growth process. Behavior of a Ga adatom on GaAs (001)–c(4 × 4) - hd surface has been studied by employing first principle total energy calculations. Potential energy for a Ga adatom relaxed from a height of 3 Å from the surface has been mapped. Minimum energy sites have been identified and binding energies have been calculated for the same. 0 English text University of Toledo / OhioLINK http://rave.ohiolink.edu/etdc/view?acc_num=toledo1324929790 http://rave.ohiolink.edu/etdc/view?acc_num=toledo1324929790 unrestricted This thesis or dissertation is protected by copyright: all rights reserved. It may not be copied or redistributed beyond the terms of applicable copyright laws. |
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NDLTD |
| language |
English |
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NDLTD |
| topic |
Binding sites c(4x4) heterodimer |
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Binding sites c(4x4) heterodimer Aravelli, Sandeep Identification of Binding Sites and Determination of Binding Energies of a Ga Adatom on the GaAs(001)–c(4 × 4) –Heterodimer Surface: A First-Principles Study |
| author |
Aravelli, Sandeep |
| author_facet |
Aravelli, Sandeep |
| author_sort |
Aravelli, Sandeep |
| title |
Identification of Binding Sites and Determination of Binding Energies of a Ga Adatom on the GaAs(001)–c(4 × 4) –Heterodimer Surface: A First-Principles Study |
| title_short |
Identification of Binding Sites and Determination of Binding Energies of a Ga Adatom on the GaAs(001)–c(4 × 4) –Heterodimer Surface: A First-Principles Study |
| title_full |
Identification of Binding Sites and Determination of Binding Energies of a Ga Adatom on the GaAs(001)–c(4 × 4) –Heterodimer Surface: A First-Principles Study |
| title_fullStr |
Identification of Binding Sites and Determination of Binding Energies of a Ga Adatom on the GaAs(001)–c(4 × 4) –Heterodimer Surface: A First-Principles Study |
| title_full_unstemmed |
Identification of Binding Sites and Determination of Binding Energies of a Ga Adatom on the GaAs(001)–c(4 × 4) –Heterodimer Surface: A First-Principles Study |
| title_sort |
identification of binding sites and determination of binding energies of a ga adatom on the gaas(001)–c(4 × 4) –heterodimer surface: a first-principles study |
| publisher |
University of Toledo / OhioLINK |
| publishDate |
0 |
| url |
http://rave.ohiolink.edu/etdc/view?acc_num=toledo1324929790 |
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AT aravellisandeep identificationofbindingsitesanddeterminationofbindingenergiesofagaadatomonthegaas001c44heterodimersurfaceafirstprinciplesstudy |
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