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Curvature-induced e...
Curvature-induced effects in semiconducting alkaline-earth metal silicide nanotubes
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- Alekseev, A. Yu (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.;Belarusian State Univ, Inst Nucl Problems, Bobruiskaya 11, Minsk 220006, BELARUS.
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- Filonov, A. B. (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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- Borisenko, V. E. (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,Materialteori,Multiscale Materials Modelling, Department of Materials and Engineering, Royal Institute of Technology (KTH), SE-10044, Stockholm, Sweden
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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.;Belarusian State Univ, Inst Nucl Problems, Bobruiskaya 11, Minsk 220006, BELARUS. (creator_code:org_t)
- Elsevier BV, 2021
- 2021
- Engelska.
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Ingår i: Physica. E, Low-Dimensional systems and nanostructures. - : Elsevier BV. - 1386-9477 .- 1873-1759. ; 128
- 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 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 angstrom. 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.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- 2D alkaline-earth metal silicides
- Curvature-induced effects
- 2D to nanotube transformation
- Stabilization of metastable phase
- Band dispersion
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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