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Structure and Properties of the Semiconductors Tl2SnAs2Q6 (Q = S, Se)

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Abstract

We describe the Tl2SnAs2Q6, (Q= S, Se) compounds which consist of [SnAs2S6]2- layers with the Tl+ cations lying in between. Tl2SnAs2S6 and Tl2SnAs2Se6 crystallize in the space group P-3 with a = 6.706(4) Å, c = 7.187(6) Å and a = 6.996(3) Å, c = 7.232(4) Å respectively. These compounds are semiconductors with band gaps of 1.68 eV for the sulfide and 1.08 eV for selenide corresponding to their dark red and black colors respectively. Band structure calculations suggest indirect band gaps in these materials.

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Acknowledgments

Financial support from the National Science Foundation (DMR-0443785) is gratefully acknowledged.

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Authors and Affiliations

  1. Department of Chemistry, Astronomy Michigan State University, East Lansing, MI, 48824, USA

    Ratnasabapathy G. Iyer & Mercouri G. Kanatzidis

  2. Department of Physics, Astronomy Michigan State University, East Lansing, MI, 48824, USA

    Daniel Bilc & S. D. Mahanti

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  1. Ratnasabapathy G. Iyer
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  2. Daniel Bilc
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  3. S. D. Mahanti
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  4. Mercouri G. Kanatzidis
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Iyer, R.G., Bilc, D., Mahanti, S.D. et al. Structure and Properties of the Semiconductors Tl2SnAs2Q6 (Q = S, Se). MRS Online Proceedings Library 848, 150–155 (2004). https://doi.org/10.1557/PROC-848-FF2.7

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