Publication: Curvature-induced effects in semiconducting alkaline-earth metal silicide nanotubes
Дата
2021
Авторы
Alekseev, A. Y.
Filonov, A. B.
Chernykh, A. G.
Skorodumova, N. V.
Migas, D. B.
Borisenko, V. E.
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Аннотация
© 2020 Elsevier B.V.By means of ab-initio techniques we have investigated changes in the structure and electronic properties of alkaline-earth metal silicide (Ca2Si, Mg2Si and MgCaSi) nanotubes caused by the curvature-induced effects. It is revealed that the curvature-induced effects can: 1) stabilize Mg2Si nanotubes in a phase, which is metastable for the parent 2D Mg2Si; 2) lead to an energy gain as a result of 2D to nanotube structural transformation in the case of ternary MgCaSi nanotubes; 3) modify the band dispersion and band gaps for nanotubes with the diameters less than 30 Å. In addition, Mg2Si and MgCaSi nanotubes are found to be direct band-gap (0.5–1.2 eV) materials with appreciable oscillator strength of the first direct transitions.
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Цитирование
Curvature-induced effects in semiconducting alkaline-earth metal silicide nanotubes / Alekseev, A.Y. [et al.] // Physica E: Low-Dimensional Systems and Nanostructures. - 2021. - 128. - 10.1016/j.physe.2020.114582
URI
https://www.doi.org/10.1016/j.physe.2020.114582
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http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000618051400004
https://openrepository.mephi.ru/handle/123456789/23501
https://www.scopus.com/record/display.uri?eid=2-s2.0-85098110062&origin=resultslist
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000618051400004
https://openrepository.mephi.ru/handle/123456789/23501