by T. Jarrin, A. Jay, M. Raine, N. Mousseau, A. Hémeryck and N. Richard
Abstract:
Primary simulations of neutron interactions are performed on Si1-xGex alloys with a Monte Carlo (MC) code using the binary collision approximation (BCA). Then, a statistical study of the collision cascades development in Si0.8Ge0.2, Si0.7Ge0.3, and Si0.5Ge0.5 is carried out using molecular dynamics (MD), starting from both Si and Ge primary knock-on atoms (PKAs) of 1, 5, and 10 keV. The well-known Stillinger-Weber (SW) MD potential, which can be used to study Si, Ge, and Si1-xGex, is coupled to the Ziegler-Biersack-Littmark (ZBL) universal potential to better describe the collisions between atoms. To account for the stopping power of the electrons, the two-temperature model (TTM) is combined with MD. Similar studies are performed on pure Si and pure Ge in order to be able to compare our Si-Ge alloys damaged structures with reference materials. Moreover, data obtained by TTM-MD on Si, Ge, and Si1-xGex are compared with collision cascades statistical data from MC codes.
Reference:
T. Jarrin, A. Jay, M. Raine, N. Mousseau, A. Hémeryck and N. Richard, “Simulation of Single Particle Displacement Damage in Si₁₋ₓGeₓ Alloys—Interaction of Primary Particles With the Material and Generation of the Damage Structure”, In IEEE Transactions on Nuclear Science, vol. 67, no. 7, pp. 1273–1283, 2020.
Bibtex Entry:
@article{jarrin_simulation_2020,
	title = {Simulation of {Single} {Particle} {Displacement} {Damage} in {Si}₁₋ₓ{Geₓ} {Alloys}—{Interaction} of {Primary} {Particles} {With} the {Material} and {Generation} of the {Damage} {Structure}},
	volume = {67},
	issn = {1558-1578},
	doi = {10.1109/TNS.2020.2970488},
	abstract = {Primary simulations of neutron interactions are performed on Si1-xGex alloys with a Monte Carlo (MC) code using the binary collision approximation (BCA). Then, a statistical study of the collision cascades development in Si0.8Ge0.2, Si0.7Ge0.3, and Si0.5Ge0.5 is carried out using molecular dynamics (MD), starting from both Si and Ge primary knock-on atoms (PKAs) of 1, 5, and 10 keV. The well-known Stillinger-Weber (SW) MD potential, which can be used to study Si, Ge, and Si1-xGex, is coupled to the Ziegler-Biersack-Littmark (ZBL) universal potential to better describe the collisions between atoms. To account for the stopping power of the electrons, the two-temperature model (TTM) is combined with MD. Similar studies are performed on pure Si and pure Ge in order to be able to compare our Si-Ge alloys damaged structures with reference materials. Moreover, data obtained by TTM-MD on Si, Ge, and Si1-xGex are compared with collision cascades statistical data from MC codes.},
	number = {7},
	journal = {IEEE Transactions on Nuclear Science},
	author = {Jarrin, T. and Jay, A. and Raine, M. and Mousseau, N. and Hémeryck, A. and Richard, N.},
	month = jul,
	year = {2020},
	note = {Conference Name: IEEE Transactions on Nuclear Science},
	keywords = {Atomic measurements, binary collision approximation, Cluster, collision cascade, collision cascades, Couplings, damage structure, defects, displacement damage, energy loss of particles, Ge-Si alloys, germanium, Germanium, Heating systems, MC codes, molecular dynamics, molecular dynamics method, molecular dynamics simulation, Monte Carlo (MC), Monte Carlo methods, Monte Carlo simulation, neutron interactions, Neutrons, Si1-xGex, Si1-xGex alloys, silicon, Silicon, simulation, single particle displacement damage, Stillinger-Weber MD potential, stopping power, two-temperature model, Ziegler-Biersack-Littmark universal potential},
	pages = {1273--1283},
	file = {IEEE Xplore Abstract Record:C:\Users\abm50\Zotero\storage\VRHGPBAZ\8976285.html:text/html}
}