Cation ordering and physicochemical characterization of the quaternary diamond-like semiconductor Ag{sub 2}CdGeS{sub 4}

Journal Article · Thu Mar 15 04:00:00 EDT 2012 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/J.JSSC.2011.12.032· OSTI ID:22012057

Brunetta, Carl D; Minsterman, William C ^[1]; Lake, Charles H ^[2]

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1. Department of Chemistry and Biochemistry, Duquesne University, 600 Forbes Avenue, Pittsburgh, PA 15282 (United States)
2. Department of Chemistry, Indiana University of Pennsylvania, 975 Oakland Avenue, Indiana, PA 15705 (United States)

The quaternary diamond-like semiconductor, Ag{sub 2}CdGeS{sub 4}, was synthesized via high-temperature solid-state synthesis as well as structurally and physicochemically characterized. Single crystal X-ray diffraction provided a model for Ag{sub 2}CdGeS{sub 4} in the orthorhombic, noncentrosymmetric space group Pna2{sub 1} with a=13.7415(8) A, b=8.0367(5) A and c=6.5907(4) A, in contrast to a previously published model in Pmn2{sub 1} from the Rietveld analysis of laboratory X-ray powder diffraction data. The Pna2{sub 1} space group is supported by the Rietveld analysis of synchrotron X-ray powder diffraction data. Differential thermal analysis suggests that Ag{sub 2}CdGeS{sub 4} exists in two polymorphs. Optical diffuse reflectance UV/vis/NIR spectroscopy indicates that the orange compound is a semiconductor with a band gap of 2.32 eV. Optical microscopy, scanning electron microscopy, energy dispersive spectroscopy and inductively coupled plasma optical emission spectroscopy were used to further characterize the material. - Graphical abstract: The structure of the diamond-like semiconductor Ag{sub 2}CdGeS{sub 4} has been solved and refined in the orthorhombic noncentrosymmetric space group Pna2{sub 1}. A view down the a-axis shows that all MS{sub 4} tetrahedra are pointing in the same direction along the c-axis. The structure can be derived from that of lonsdaleite. Highlights: Black-Right-Pointing-Pointer The structure of Ag{sub 2}CdGeS{sub 4} is solved from single crystal X-ray diffraction. Black-Right-Pointing-Pointer The structure is supported by the Rietveld analysis of synchrotron diffraction data. Black-Right-Pointing-Pointer Ag{sub 2}CdGeS{sub 4} is a semiconductor with an optical band gap of 2.32 eV. Black-Right-Pointing-Pointer Additional characterization is reported.

• OSTI ID: 22012057
• Journal Information: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Vol. . 187; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
DIAMONDS
DIFFERENTIAL THERMAL ANALYSIS
EMISSION SPECTROSCOPY
MONOCRYSTALS
OPTICAL MICROSCOPY
ORTHORHOMBIC LATTICES
PLASMA
POWDERS
SCANNING ELECTRON MICROSCOPY
SEMICONDUCTOR MATERIALS
SOLIDS
SPACE GROUPS
SYNCHROTRONS
SYNTHESIS
TEMPERATURE RANGE 0400-1000 K
X-RAY DIFFRACTION