K. P. Karasev, D. A. Strizhkin, A. I. Titov, P. A. Karaseov
{"title":"Simulation of Silicon Irradiation with C60 Ions: Unveiling the Role of the Interaction Potential","authors":"K. P. Karasev, D. A. Strizhkin, A. I. Titov, P. A. Karaseov","doi":"10.1134/s1027451024020319","DOIUrl":null,"url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>Molecular dynamic simulation was used to study the processes of molecular 2 to 14 keV C60 ion impact on the (100) Si surface at 0 to 1000 K. Tersoff-ZBL and Airebo interaction potentials were used, and electronic energy loss were taken into account as quasifriction force for fast particles. It is shown that, when single impact events are simulated, the target temperature does not affect the development of the displacement cascade but affects its thermalization and the formation of the crater on the surface. As the energy increases, the carbon penetration depth, the size of the formed crater, and the size of the rim increase. The sputtering coefficient of silicon atoms in this case increases linearly with energy, while for carbon atoms it reaches a steady-state value at 10 keV. A higher number of atomized carbon atoms in single impact events is found using the Tersoff potential compared to the Airebo potential. In the event of cumulative events, the formation of an etch pit is observed at the initial stage followed by carbon film growth. In the case of cumulative ion accumulation, the use of the Airebo potential yields a higher sputtering coefficient than the use of the Tersoff potential. The formation of carbide bonds in the crystal and the increase in their concentration with ion fluence slightly reduce the number of sputtered particles. Therefore, for the correct comparison of simulation results with experiment it is not enough to use the results of single impact event analysis. It is necessary to perform cumulative fluence accumulation simulation.</p>","PeriodicalId":671,"journal":{"name":"Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques","volume":null,"pages":null},"PeriodicalIF":0.5000,"publicationDate":"2024-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1134/s1027451024020319","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
引用次数: 0
Abstract
Molecular dynamic simulation was used to study the processes of molecular 2 to 14 keV C60 ion impact on the (100) Si surface at 0 to 1000 K. Tersoff-ZBL and Airebo interaction potentials were used, and electronic energy loss were taken into account as quasifriction force for fast particles. It is shown that, when single impact events are simulated, the target temperature does not affect the development of the displacement cascade but affects its thermalization and the formation of the crater on the surface. As the energy increases, the carbon penetration depth, the size of the formed crater, and the size of the rim increase. The sputtering coefficient of silicon atoms in this case increases linearly with energy, while for carbon atoms it reaches a steady-state value at 10 keV. A higher number of atomized carbon atoms in single impact events is found using the Tersoff potential compared to the Airebo potential. In the event of cumulative events, the formation of an etch pit is observed at the initial stage followed by carbon film growth. In the case of cumulative ion accumulation, the use of the Airebo potential yields a higher sputtering coefficient than the use of the Tersoff potential. The formation of carbide bonds in the crystal and the increase in their concentration with ion fluence slightly reduce the number of sputtered particles. Therefore, for the correct comparison of simulation results with experiment it is not enough to use the results of single impact event analysis. It is necessary to perform cumulative fluence accumulation simulation.
期刊介绍：
Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques publishes original articles on the topical problems of solid-state physics, materials science, experimental techniques, condensed media, nanostructures, surfaces of thin films, and phase boundaries: geometric and energetical structures of surfaces, the methods of computer simulations; physical and chemical properties and their changes upon radiation and other treatments; the methods of studies of films and surface layers of crystals (XRD, XPS, synchrotron radiation, neutron and electron diffraction, electron microscopic, scanning tunneling microscopic, atomic force microscopic studies, and other methods that provide data on the surfaces and thin films). Articles related to the methods and technics of structure studies are the focus of the journal. The journal accepts manuscripts of regular articles and reviews in English or Russian language from authors of all countries. All manuscripts are peer-reviewed.
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