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Sci. Lett. J. 2012, 1: 16
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Research Article
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Full Text
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Structure, electronic and optical properties of tin sulfide
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V. L. Shaposhnikova, A. V. Krivosheevaa, V. E. Borisenkoa, J.-L. Lazzarib
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a Belarusian State University of Informatics and Radioelectronics, P. Browka 6, 220013 Minsk, Belarus
b Centre Interdisciplinaire de Nanoscience de Marseille, UMR 7325 CNRS – Aix-Marseille Université, Case 913, Campus de Luminy, 13288 Marseille cedex 9, France
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Abstract |
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Structural, electronic and optical properties of different phases of tin sulfide SnSx (1 = x = 2) have been theoretically estimated by modern potential and approximation techniques (modified Becke-Johnson, GW approximation) beyond the density functional theory. All phases were found to be indirect-gap semiconductors. The room-temperature simple orthorhombic a-phase of SnS is characterized by the energy gap of about 1.2–1.6 eV, while the high-temperature C-centered orthorhombic ß SnS has a smaller gap of about 0.6 eV. The cubic phases which were experimentally observed in thin films possess a gap of about 0.7 eV, while the largest band gap, i.e. 2.4 2.9 eV, was found for hexagonal phases of SnS2. The averaged absorption coefficients (> 105 cm-1 in the visible spectrum) of cubic or orthorhombic phases of SnS were found to be around one order of magnitude with that of GaAs. This shows a-phase of SnS to be promising for photovoltaic applications.
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Keywords
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Tin sulfide; Band structure; Photovoltaics; Absorption coefficient
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