Experimental and theoretical studies on self-diffusion in amorphous germanium

Tim Böckendorf; Jan Kirschbaum; Felix Kipke; Dominique Bougeard; John Lundsgaard Hansen; Arne Nylandsted Larsen; Matthias Posselt; Hartmut Bracht

doi:10.1063/5.0183578

Experimental and theoretical studies on self-diffusion in amorphous germanium

Tim Böckendorf^*, Jan Kirschbaum, Felix Kipke, Dominique Bougeard, John Lundsgaard Hansen, Arne Nylandsted Larsen, Matthias Posselt, Hartmut Bracht

^*Corresponding author for this work

Department of Physics and Astronomy

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

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Abstract

Self-diffusion in amorphous germanium is studied at temperatures between 325 and 370 °C utilizing amorphous isotopically controlled germanium multilayer structures. The isotope multilayer is epitaxially grown on a single crystalline germanium-on-insulator structure by means of molecular beam epitaxy and subsequently amorphized by self-ion implantation. After heat treatment, the diffusional broadening of the isotope structure is measured with time-of-flight secondary ion mass spectrometry. The temperature dependence of self-diffusion is accurately described by the Arrhenius equation with the activation enthalpy Q = (2.21 ± 0.12) eV and pre-exponential factor D 0 = ( 2.3 2 − 2.10 + 20.79 ) cm² s⁻¹. The activation enthalpy equals the activation enthalpy of solid phase epitaxial recrystallization (SPER). This agreement suggests that self-diffusion in amorphous germanium is similar to SPER, also mainly mediated by local bond rearrangements. Classical molecular dynamics simulations with a modified Stillinger-Weber-type interatomic potential yield results that are consistent with the experimental data and support the proposed atomic mechanism.

Original language	English
Article number	065129
Journal	AIP Advances
Volume	14
Issue	6
DOIs	https://doi.org/10.1063/5.0183578
Publication status	Published - Jun 2024

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title = "Experimental and theoretical studies on self-diffusion in amorphous germanium",

abstract = "Self-diffusion in amorphous germanium is studied at temperatures between 325 and 370 °C utilizing amorphous isotopically controlled germanium multilayer structures. The isotope multilayer is epitaxially grown on a single crystalline germanium-on-insulator structure by means of molecular beam epitaxy and subsequently amorphized by self-ion implantation. After heat treatment, the diffusional broadening of the isotope structure is measured with time-of-flight secondary ion mass spectrometry. The temperature dependence of self-diffusion is accurately described by the Arrhenius equation with the activation enthalpy Q = (2.21 ± 0.12) eV and pre-exponential factor D 0 = ( 2.3 2 − 2.10 + 20.79 ) cm2 s−1. The activation enthalpy equals the activation enthalpy of solid phase epitaxial recrystallization (SPER). This agreement suggests that self-diffusion in amorphous germanium is similar to SPER, also mainly mediated by local bond rearrangements. Classical molecular dynamics simulations with a modified Stillinger-Weber-type interatomic potential yield results that are consistent with the experimental data and support the proposed atomic mechanism.",

author = "Tim B{\"o}ckendorf and Jan Kirschbaum and Felix Kipke and Dominique Bougeard and Hansen, {John Lundsgaard} and Larsen, {Arne Nylandsted} and Matthias Posselt and Hartmut Bracht",

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T1 - Experimental and theoretical studies on self-diffusion in amorphous germanium

AU - Böckendorf, Tim

AU - Kirschbaum, Jan

AU - Kipke, Felix

AU - Bougeard, Dominique

AU - Hansen, John Lundsgaard

AU - Larsen, Arne Nylandsted

AU - Posselt, Matthias

AU - Bracht, Hartmut

PY - 2024/6

Y1 - 2024/6

N2 - Self-diffusion in amorphous germanium is studied at temperatures between 325 and 370 °C utilizing amorphous isotopically controlled germanium multilayer structures. The isotope multilayer is epitaxially grown on a single crystalline germanium-on-insulator structure by means of molecular beam epitaxy and subsequently amorphized by self-ion implantation. After heat treatment, the diffusional broadening of the isotope structure is measured with time-of-flight secondary ion mass spectrometry. The temperature dependence of self-diffusion is accurately described by the Arrhenius equation with the activation enthalpy Q = (2.21 ± 0.12) eV and pre-exponential factor D 0 = ( 2.3 2 − 2.10 + 20.79 ) cm2 s−1. The activation enthalpy equals the activation enthalpy of solid phase epitaxial recrystallization (SPER). This agreement suggests that self-diffusion in amorphous germanium is similar to SPER, also mainly mediated by local bond rearrangements. Classical molecular dynamics simulations with a modified Stillinger-Weber-type interatomic potential yield results that are consistent with the experimental data and support the proposed atomic mechanism.

AB - Self-diffusion in amorphous germanium is studied at temperatures between 325 and 370 °C utilizing amorphous isotopically controlled germanium multilayer structures. The isotope multilayer is epitaxially grown on a single crystalline germanium-on-insulator structure by means of molecular beam epitaxy and subsequently amorphized by self-ion implantation. After heat treatment, the diffusional broadening of the isotope structure is measured with time-of-flight secondary ion mass spectrometry. The temperature dependence of self-diffusion is accurately described by the Arrhenius equation with the activation enthalpy Q = (2.21 ± 0.12) eV and pre-exponential factor D 0 = ( 2.3 2 − 2.10 + 20.79 ) cm2 s−1. The activation enthalpy equals the activation enthalpy of solid phase epitaxial recrystallization (SPER). This agreement suggests that self-diffusion in amorphous germanium is similar to SPER, also mainly mediated by local bond rearrangements. Classical molecular dynamics simulations with a modified Stillinger-Weber-type interatomic potential yield results that are consistent with the experimental data and support the proposed atomic mechanism.

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DO - 10.1063/5.0183578

M3 - Journal article

AN - SCOPUS:85196834289

SN - 2158-3226

VL - 14

JO - AIP Advances

JF - AIP Advances

IS - 6

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ER -

Experimental and theoretical studies on self-diffusion in amorphous germanium

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