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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
http://rave.ohiolink.edu/etdc/view?acc_num=toledo1324929790

Abstract Details

0, Master of Science in Electrical Engineering, University of Toledo, College of Engineering.
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.
Dr. Sanjay Khare (Committee Chair)
Dr. Daniel Georgiev (Committee Member)
Dr. Rashmi Jha (Committee Member)
Binding sites; c(4x4) heterodimer

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Citations

  • Aravelli, S. (0). 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 [Master's thesis, University of Toledo]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1324929790

    APA Style (7th edition)

  • 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. 0. University of Toledo, Master's thesis. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=toledo1324929790.

    MLA Style (8th edition)

  • 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." Master's thesis, University of Toledo, 0. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1324929790

    Chicago Manual of Style (17th edition)

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This open access ETD is published by University of Toledo and OhioLINK.