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Title: Stability of 2D alkaline-earth metal silicides, germanides and stannides
Authors: Alekseev, A. V.
Chernykh, A. G.
Filonov, A. B.
Migas, D. B.
Skorodumova, N. V.
Keywords: публикации ученых;2D crystal;Silicide;Germanide;Stannide;Stability;Total energy;Phonon dispersion
Issue Date: 2019
Publisher: World Scientific Publishing Co Pte Ltd
Citation: Stability of 2D alkaline-earth metal silicides, germanides and stannides / A. V. Alekseev [and oth.] // International Journal of Nanoscience – 2019. – Vol. 18, № 3-4. – P. 1940013. – DOI:
Abstract: 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 _ point, were not necessarily associated with the dynamic instability.
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