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Please use this identifier to cite or link to this item: https://libeldoc.bsuir.by/handle/123456789/46487
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dc.contributor.authorScalise, E.-
dc.contributor.authorSarikov, A.-
dc.contributor.authorBarbisan, L.-
dc.contributor.authorMarzegalli, A.-
dc.contributor.authorMigas, D. B.-
dc.contributor.authorMontalenti, F.-
dc.contributor.authorMiglio, L.-
dc.date.accessioned2021-12-28T11:55:01Z-
dc.date.available2021-12-28T11:55:01Z-
dc.date.issued2021-
dc.identifier.citationThermodynamic driving force in the formation of hexagonal-diamond Si and Ge nanowires / E. Scalise [et al.] // Applied Surface Science. – 2021. – Vol. 545. – № 9. – P. 148948. – DOI: 10.1016/j.apsusc.2021.148948.ru_RU
dc.identifier.urihttps://libeldoc.bsuir.by/handle/123456789/46487-
dc.description.abstractThe metastable hexagonal-diamond phase of Si and Ge (and of SiGe alloys) displays superior optical properties with respect to the cubic-diamond one. Based on first-principle calculations we show that the surface energy of the typical facets exposed in Si and Ge nanowires is lower in the hexagonal-diamond phase than in the cubic one. By exploiting a synergic approach based also on a recent state-of-the-art interatomic potential and on a simple geometrical model, we investigate the relative stability of nanowires in the two phases up to few tens of nm in radius, highlighting the surface-related driving force and discussing its relevance in recent experiments. We also explore the stability of Si and Ge core-shell nanowires with hexagonal cores (made of GaP for Si nanowires, of GaAs for Ge nanowires). In this case, the stability of the hexagonal shell over the cubic one is also favored by the energy cost associated with the interface linking the two phases. Interestingly, our calculations indicate a critical radius of the hexagonal shell much lower than the one reported in recent experiments, indicating the presence of a large kinetic barrier allowing for the enlargement of the wire in a metastable phase.ru_RU
dc.language.isoenru_RU
dc.publisherElsevierru_RU
dc.subjectпубликации ученыхru_RU
dc.subjectHexagonal diamond Siliconru_RU
dc.subject2H-Germaniumru_RU
dc.subjectLonsdaliteru_RU
dc.subjectNanowiresru_RU
dc.subjectDFTru_RU
dc.subjectGeneral-purpose interatomic potentialru_RU
dc.titleThermodynamic driving force in the formation of hexagonal-diamond Si and Ge nanowiresru_RU
dc.typeСтатьяru_RU
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