研究目的
Investigating the structural and optical properties of (Cu6PS5Br)1-x(Cu7PS6)x mixed crystals grown by a direct crystallization technique.
研究成果
The study successfully characterized the structural and optical properties of (Cu6PS5Br)1-x(Cu7PS6)x mixed crystals, revealing a transition from face-centred cubic to primitive cubic lattice with increasing Cu7PS6 content. The Raman spectra and diffuse reflection spectra provided insights into the vibrational modes and energy gap, respectively, showing a nonlinear dependence on composition.
研究不足
The study is limited to the characterization of structural and optical properties without delving into the electrical properties or potential applications of the mixed crystals.
1：Experimental Design and Method Selection:
The study involved the growth of (Cu6PS5Br)1-x(Cu7PS6)x mixed crystals using the Bridgman-Stockbarger method, followed by structural and optical characterization.
2：Sample Selection and Data Sources:
Samples were prepared from pre-synthesized Cu6PS5Br and Cu7PS6 in desired stoichiometric proportions.
3：List of Experimental Equipment and Materials:
A DRON 4-07 diffractometer for XRD, a Horiba LabRAM spectrometer for Raman spectra, and a LOMO MDR-3 spectrometer for diffuse reflection measurements were used.
4：Experimental Procedures and Operational Workflow:
The crystals were grown, annealed, and then characterized using XRD, Raman spectroscopy, and diffuse reflection spectroscopy.
5：Data Analysis Methods:
The XRD data were analyzed using EXPO 2014 software for crystal structure determination, and Raman spectra were analyzed for vibrational modes.
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