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Electronic and opti...
Electronic and optical properties of ZnO nanosheet doped and codoped with Be and/or Mg for ultraviolet optoelectronic technologies : density functional calculations
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- Bouziani, I (författare)
- Moulay Ismail Univ Meknes, Fac Sci, Phys Dept, LP2MS,Unite Associee CNRST URAC 08, BP 11201, Meknes, Morocco
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- Kibbou, M. (författare)
- Moulay Ismail Univ Meknes, Fac Sci, Phys Dept, LP2MS,Unite Associee CNRST URAC 08, BP 11201, Meknes, Morocco
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- Haman, Z. (författare)
- Moulay Ismail Univ Meknes, Fac Sci, Phys Dept, LP2MS,Unite Associee CNRST URAC 08, BP 11201, Meknes, Morocco
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- Benhouria, Y. (författare)
- Moulay Ismail Univ Meknes, Fac Sci, Phys Dept, LP2MS,Unite Associee CNRST URAC 08, BP 11201, Meknes, Morocco
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- Essaoudi, Ismail (författare)
- Uppsala universitet,Materialteori,Moulay Ismail Univ Meknes, Fac Sci, Phys Dept, LP2MS,Unite Associee CNRST URAC 08, BP 11201, Meknes, Morocco
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- Ainane, Abdelmajid (författare)
- Uppsala universitet,Materialteori,Moulay Ismail Univ Meknes, Fac Sci, Phys Dept, LP2MS,Unite Associee CNRST URAC 08, BP 11201, Meknes, Morocco;Max Planck Inst Phys Complexer Systeme, Nothnitzer Str 38, D-01187 Dresden, Germany
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- Ahuja, Rajeev, 1965- (författare)
- Uppsala universitet,Materialteori
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(creator_code:org_t)
- 2019-12-04
- 2020
- Engelska.
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Ingår i: Physica Scripta. - : IOP PUBLISHING LTD. - 0031-8949 .- 1402-4896. ; 95:1
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- Theoretically, the density functional calculations have been effectuated for investigating electronic and optical properties of zinc oxide nanosheet doped and codoped with Be and/or Mg utilizing the generalized gradient approximation modified Becke-Johnson (GGA-mBJ) approach. The computed results show that the ZnBeO, ZnMgO and ZnBeMgO in nanosheet structure, referring to their low formation energy values, are more stable than those in bulk one. Furthermore, the bandgap of ZnO monolayer can be effectively modulated through substitution of Zn atoms by Be and/or Mg. In addition to that, by incorporating Be and/or Mg, the absorption peaks of ZnO nanosheet shift into the shorter UV-wavelength side as well as its reflectivity becomes lower. These results indicate that doping and codoping process of ZnO monolayer with Be and/or Mg are two efficient ways to modulate electronic and optical properties for ultraviolet optoelectronic technologies.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- ZnO monolayer
- substitution process
- bandgap modulation
- ultraviolet absorption
- optoelectronic technologies
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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