Thio-olivine Mn2SiS4 thin films by reactive magnetron sputtering : Structural and optical properties with insights from first principles calculations

• Thio-olivines such as (Fe,Mn)(2)(Si,Ge)S-4 have been proposed as candidate earth-abundant materials for single and multi-junction solar cells. In this work we present the first investigation of Mn2SiS4 thin 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 > 10(4) 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. 

Subject headings

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)

NATURVETENSKAP  -- Kemi -- Materialkemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Materials Chemistry (hsv//eng)

TEKNIK OCH TEKNOLOGIER  -- Materialteknik (hsv//swe)

ENGINEERING AND TECHNOLOGY  -- Materials Engineering (hsv//eng)

Keyword

Magnetron sputtering deposition

Compositional grading

Thio-olivines

Thin films

Mn2SiS4

Publication and Content Type

ref (subject category)

art (subject category)