Modeling SiGe Through Classical Molecular Dynamics Simulations: Chasing an Appropriate Empirical Potential
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| Titel: | Modeling SiGe Through Classical Molecular Dynamics Simulations: Chasing an Appropriate Empirical Potential |
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| Autoren: | Martín Encinar, Luis, Santos Tejido, Iván, López Martín, Pedro, Marqués Cuesta, Luis Alberto, Aboy Cebrián, María, Pelaz Montes, María Lourdes |
| Quelle: | UVaDOC. Repositorio Documental de la Universidad de Valladolid Universidad de Valladolid instname |
| Verlagsinformationen: | IEEE, 2018. |
| Publikationsjahr: | 2018 |
| Schlagwörter: | Molecular dynamics simulations, 0103 physical sciences, Simulaciones de dinámica molecular, 01 natural sciences |
| Beschreibung: | We used classical molecular dynamics simulations to reproduce basic properties of Si, Ge and SiGe using different empirical potentials available in the literature. The empirical potential that offered the better compromise with experimental data was used to study the surface stability of these materials. We considered the (100), (100)2×1 and (111) surfaces, and we found the processing temperature range to avoid the structural degradation of studied surfaces. Junta de Castilla y León (programa de apoyo a proyectos de investigación – Ref. VA097P17 and VA119G18) Ministerio de Ciencia e Innovación (Proyect TEC2017-86150-P) Producción Científica |
| Publikationsart: | Article Conference object |
| Dateibeschreibung: | application/pdf |
| DOI: | 10.1109/cde.2018.8597030 |
| Zugangs-URL: | https://uvadoc.uva.es/bitstream/10324/33903/1/2018_Martin_CDE2018.pdf https://www.ele.uva.es/~mmm/publications/modeling-sige-through-classical-molecular-dynamics-simulations-chasing-an-appropriate-empirical-potential.html https://www.ele.uva.es/~mmm/papers/2018_Martin_CDE2018.pdf https://uvadoc.uva.es/handle/10324/33903 https://uvadoc.uva.es/bitstream/10324/33903/1/2018_Martin_CDE2018.pdf |
| Dokumentencode: | edsair.doi.dedup.....f3d83a8e49c1d6669d304c50b0b7452d |
| Datenbank: | OpenAIRE |
Nájsť tento článok vo Web of Science | Abstract: | We used classical molecular dynamics simulations to reproduce basic properties of Si, Ge and SiGe using different empirical potentials available in the literature. The empirical potential that offered the better compromise with experimental data was used to study the surface stability of these materials. We considered the (100), (100)2×1 and (111) surfaces, and we found the processing temperature range to avoid the structural degradation of studied surfaces.<br />Junta de Castilla y León (programa de apoyo a proyectos de investigación – Ref. VA097P17 and VA119G18)<br />Ministerio de Ciencia e Innovación (Proyect TEC2017-86150-P)<br />Producción Científica |
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| DOI: | 10.1109/cde.2018.8597030 |