Dickers, Matthew D., Sushko, Gennady B., Korol, Andrei V., Mason, Nigel J., Fantuzzi, Felipe, Solov’yov, Andrey V. (2024) Dopant concentration effects on Si 1 - x Ge x crystals for emerging light-source technologies: a molecular dynamics study. The European Physical Journal D, 78 (6). Article Number 77. ISSN 1434-6060. E-ISSN 1434-6079. (doi:10.1140/epjd/s10053-024-00870-2) (KAR id:106357)
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Official URL: https://doi.org/10.1140/epjd/s10053-024-00870-2 |
Abstract
In this study, we conduct atomistic-level molecular dynamics simulations on fixed-sized silicon-germanium (Si1-xGex) crystals to elucidate the effects of dopant concentration on the crystalline inter-planar distances. Our calculations consider a range of Ge dopant concentrations between pure Si (0%) and 15%, and for both the optimised system state and a temperature of 300K. We observe a linear relationship between Ge concentration and inter-planar distance and lattice constant, in line with the approximation of Vegard’s Law, and other experimental and computational results. These findings will be employed in conjunction with future studies to establish precise tolerances for use in crystal growth, crucial for the manufacture of crystals intended for emerging gamma-ray crystal-based light source technologies.
Item Type: | Article |
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DOI/Identification number: | 10.1140/epjd/s10053-024-00870-2 |
Subjects: | Q Science |
Divisions: | Divisions > Division of Natural Sciences > Physics and Astronomy |
Funders: |
European Commission (https://ror.org/00k4n6c32)
European Cooperation in Science and Technology (https://ror.org/01bstzn19) |
SWORD Depositor: | JISC Publications Router |
Depositing User: | JISC Publications Router |
Date Deposited: | 26 Jun 2024 14:10 UTC |
Last Modified: | 27 Jun 2024 01:50 UTC |
Resource URI: | https://kar.kent.ac.uk/id/eprint/106357 (The current URI for this page, for reference purposes) |
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