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Thio-olivine Mn2SiS4 thin films by reactive magnetron sputtering: Structural and optical properties with insights from first principles calculations
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2018 (English)In: Materials & design, ISSN 0264-1275, E-ISSN 1873-4197, Vol. 152, p. 110-118Article in journal (Refereed) Published
Abstract [en]

Thio-olivines such as (Fe,Mn)2(Si,Ge)S4 have been proposed as candidate earth-abundant materials for single and multi-junction solar cells. In this work we present the first investigation of Mn2SiS4thin films prepared by reactive magnetron sputtering deposition, using a composition grading approach. Precursor instability in ambient conditions is observed, revealing the oxidation/hydrolysis of Si–S bonds from the as-deposited film as a blocking mechanism for the ternary compound formation. Structural, morphological and optical properties of the annealed Mn2SiS4 films are reported for the first time. Resulting Mn2SiS4 films have orthorhombic Pnma structure and are polycrystalline. Raman active modes at 325 nm excitation are observed at 262, 320, 400 and 464 cm−1. From room temperature photoluminescence at 532 nm excitation the band gap is estimated to be about 1.9 eV, but a high optical absorption coefficient of >104 cm−1 was only obtained at E > 2.8 eV. First principles calculations are used for better understanding of opto-electronic properties. From the calculations, Mn2SiS4 is suggested to have a band gap of about 1.73–1.86 eV depending on the magnetic configuration of Mn and slight indirect nature. The slow absorption onset is interpreted by strong anisotropy due to one of the components of the dielectric function.

Place, publisher, year, edition, pages
Elsevier, 2018. Vol. 152, p. 110-118
Keyword [en]
Compositional grading, Magnetron sputtering deposition, Mn2SiS4, Thin films, Thio-olivines
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-228708DOI: 10.1016/j.matdes.2018.04.080ISI: 000433213300011Scopus ID: 2-s2.0-85046641086OAI: oai:DiVA.org:kth-228708DiVA, id: diva2:1211074
Funder
Swedish Energy AgencySwedish Research CouncilStandUp
Note

QC 20180530

Available from: 2018-05-30 Created: 2018-05-30 Last updated: 2018-06-19Bibliographically approved

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Persson, Clas

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