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Stability of 2D Alkaline-Earth Metal Silicides, Germanides and Stannides
Belarusian State Univ Informat & Radioelect, P Browka 6, Minsk 220013, BELARUS.
Belarusian State Univ Informat & Radioelect, P Browka 6, Minsk 220013, BELARUS.
Belarusian State Univ Informat & Radioelect, P Browka 6, Minsk 220013, BELARUS.
Belarusian State Univ Informat & Radioelect, P Browka 6, Minsk 220013, BELARUS;Natl Res Nucl Univ MEPhI, Moscow Engn Phys Inst, Kashirskoe Shosse 31, Moscow 115409, Russia.
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2019 (English)In: International Journal of Nanoscience, ISSN 0219-581X, Vol. 18, no 3-4, article id 1940013Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
World Scientific, 2019. Vol. 18, no 3-4, article id 1940013
Keywords [en]
2D crystal, silicide, germanide, stannide, stability, total energy, phonon dispersion
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-390595DOI: 10.1142/S0219581X19400131ISI: 000472775200014OAI: oai:DiVA.org:uu-390595DiVA, id: diva2:1342335
Funder
EU, Horizon 2020Swedish Research Council, 2014-5993Available from: 2019-08-13 Created: 2019-08-13 Last updated: 2019-08-13Bibliographically approved

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Skorodumova, Natalia V.

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