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Atomistic Simulations of Solid-phase Epitaxial Regrowth of Amorphous Germanium

Gabriel, Alice-Agnes (2008), Atomistic Simulations of Solid-phase Epitaxial Regrowth of Amorphous Germanium, Technical University of Dresden and Helmholtz-Zentrum Dresden-Rossendorf, Germany.

Abstract
Electrical doping of germanium is usually performed by ion implantation and subsequent
annealing. In case of high damage caused by the ion bombardment, an amorphous layer
is formed, which recrystallizes by solid-phase epitaxial regrowth (SPER) during annealing.
The present thesis contains investigations of this process by classical molecular dynamics
simulations. The Stillinger-Weber interatomic potential is used with an adapted parameter
set that yields an adequate description of diamond-structured germanium. First of all, realistic
bulk amorphous germanium is prepared. Therefore, liquid germanium is simulated
and cooled down slowly. The characterization of amorphous germanium includes several
properties, such as radial distribution function and static structure factor, density and
coordination number, cohesive energy, bond-angle distribution, as well as melting temperature
and heat of fusion. A very good agreement with experimental expectations is found.
Then, realistic atomic systems including amorphous as well as crystalline regions are constructed.
The regrowth of the amorphous layer is monitored in the temperature range from
600 to 950 K, while the shift of the amorphous-crystalline-interface is analyzed by different
methods. The temperature dependence of the so determined regrowth velocities follows an
Arrhenius relation. Furthermore, the evolution of roughness, morphology and atomistic
processes of the interface are investigated during the regrowth. All simulation results are
validated by experimental data and previous theoretical investigations.
BibTeX
@mastersthesis{id1846,
  author = {Alice-Agnes Gabriel},
  school = {Technical University of Dresden and Helmholtz-Zentrum Dresden-Rossendorf, Germany},
  title = {{Atomistic Simulations of Solid-phase Epitaxial Regrowth of Amorphous Germanium}},
  year = {2008},
}
EndNote
%A Gabriel, Alice-Agnes
%D 2008
%T Atomistic Simulations of Solid-phase Epitaxial Regrowth of Amorphous Germanium
%I Technical University of Dresden and Helmholtz-Zentrum Dresden-Rossendorf, Germany
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Printed 26. Sep 2020 03:30