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Stability of 2D Alk...
Stability of 2D Alkaline-Earth Metal Silicides, Germanides and Stannides
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- Alekseev, A. Yu (författare)
- Belarusian State Univ Informat & Radioelect, P Browka 6, Minsk 220013, BELARUS.
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- Chernykh, A. G. (författare)
- Belarusian State Univ Informat & Radioelect, P Browka 6, Minsk 220013, BELARUS.
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- Filonov, A. B. (författare)
- Belarusian State Univ Informat & Radioelect, P Browka 6, Minsk 220013, BELARUS.
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- Migas, D. B. (författare)
- 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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- Skorodumova, Natalia (författare)
- Uppsala universitet,KTH,Materialvetenskap,Multiscale Materials Modelling, Department of Materials and Engineering, Royal Institute of Technology (KTH), SE-10044 Stockholm, Sweden,Materialteori
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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. (creator_code:org_t)
- World Scientific Publishing Co. Pte Ltd, 2019
- 2019
- Engelska.
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Ingår i: International Journal of Nanoscience. - : World Scientific Publishing Co. Pte Ltd. - 0219-581X. ; 18:3-4
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- 2D crystal
- silicide
- germanide
- stannide
- stability
- total energy
- phonon dispersion
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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