Publication: Stability of 2D Alkaline-Earth Metal Silicides, Germanides and Stannides
Дата
2019
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Аннотация
By means of ab initio calculations, we have estimated stability of 2D Me2X (Me = Mg, Ca, Sr, Ba and X = Si, Ge, Sn) in the T and Td phases, which are similar to the ones of 2D transition metal chalcogenides, in addition to their phonon spectra. The T phase is found to be more stable for 2D Ca2X, Sr2X and Ba2X, whereas the Td phase is predicted to be the ground state for 2D Mg2X. We have also discussed that imaginary frequencies in the calculated phonon spectra of 2D Me2X, which appeared in the vicinity of the Gamma point, were not necessarily associated with the dynamic instability.
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Stability of 2D Alkaline-Earth Metal Silicides, Germanides and Stannides / Alekseev, AYu [et al.] // International Journal of Nanoscience. - 2019. - 18. - № 3-4. - 10.1142/S0219581X19400131
URI
https://www.doi.org/10.1142/S0219581X19400131
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https://openrepository.mephi.ru/handle/123456789/18324
https://www.scopus.com/record/display.uri?eid=2-s2.0-85068190113&origin=resultslist
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000472775200014
https://openrepository.mephi.ru/handle/123456789/18324