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On the ordering in new low gap semiconductors: PtSnS, PtSnSe, PtSnTe. Experimental and DFT studies

Weihrich, Richard ; Kurowski, Daniel ; Stückl, A. C. ; Matar, S. F. ; Rau, Franz ; Bernert, Thomas


The crystallographic and electronic structures of PtSnS, PtSnSe and PtSnTe were investigated by X-ray structure analysis and density functional theory (DFT) calculations. Conductivity measurements and diffraction patterns show semiconducting ordered pyrite type related compounds containing SnX (X=S, Se, Te) entities. A scheme is presented to model ordered variants according to the relative ...


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