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Experimental and Th...
Experimental and Theoretical Study of Stable and Metastable Phases in Sputtered CuInS2
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- Larsen, Jes K. (author)
- Uppsala universitet,Solcellsteknik
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- Sopiha, Kostiantyn V. (author)
- Uppsala universitet,Solcellsteknik
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- Persson, Clas (author)
- KTH,Processer,Univ Oslo, Ctr Mat Sci & Nanotechnol, Dept Phys, Box 1048, NO-0316 Oslo, Norway.;Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden.
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- Platzer Björkman, Charlotte, 1976- (author)
- Uppsala universitet,Solcellsteknik
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- Edoff, Marika, 1965- (author)
- Uppsala universitet,Solcellsteknik
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(creator_code:org_t)
- 2022-06-20
- 2022
- English.
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In: Advanced Science. - : Wiley. - 2198-3844. ; 9:23
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Abstract
Subject headings
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- The chalcopyrite Cu(In,Ga)S2 has gained renewed interest in recent years due to the potential application in tandem solar cells. In this contribution, a combined theoretical and experimental approach is applied to investigate stable and metastable phases forming in CuInS2 (CIS) thin films. Ab initio calculations are performed to obtain formation energies, X-ray diffraction (XRD) patterns, and Raman spectra of CIS polytypes and related compounds. Multiple CIS structures with zinc-blende and wurtzite-derived lattices are identified and their XRD/Raman patterns are shown to contain overlapping features, which could lead to misidentification. Thin films with compositions from Cu-rich to Cu-poor are synthesized via a two-step approach based on sputtering from binary targets followed by high-temperature sulfurization. It is discovered that several CIS polymorphs are formed when growing the material with this approach. In the Cu-poor material, wurtzite CIS is observed for the first time in sputtered thin films along with chalcopyrite CIS and CuAu-ordered CIS. Once the wurtzite CIS phase has formed, it is difficult to convert into the stable chalcopyrite polymorph. CuIn5S8 and NaInS2 accommodating In-excess are found alongside the CIS polymorphs. It is argued that the metastable polymorphs are stabilized by off-stoichiometry of the precursors, hence tight composition control is required.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Keyword
- disorder
- polymorphs
- polytypes
- Raman spectra
- wurtzite
- zinc-blende
- Calculations
- Copper compounds
- Gold compounds
- Indium compounds
- Metastable phases
- Sodium compounds
- Thin films
- X ray diffraction
- Zinc
- Zinc sulfide
- Cu-poor
- CuInS 2
- Stable and metastable phasis
- Tandem solar cells
- Theoretical study
- Thin-films
- Zinc blende
- Raman scattering
Publication and Content Type
- ref (subject category)
- art (subject category)
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