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SM ISO690:2012 VILAPLANA, Rosario Isabel, GOMIS, Oscar, PEREZ-GONZALEZ, Eduardo, ORTIZ, Henry M, MANJON, Francisco Javier, RODRIGUEZ-HERNANDEZ, Placida Rogelio, MUNOZ, Alfonso Gonzalez, ALONSO-GUTIÉRREZ, Pablo, SANJUÁN, María Luisa, URSAKI, Veacheslav, TIGINYANU, Ion. Thermally activated cation ordering in ZnGa2Se4 single crystals studied by Raman scattering, optical absorption, and ab initio calculations. In: Journal of Physics Condensed Matter, 2013, vol. 25, p. 0. ISSN 0953-8984. DOI: https://doi.org/10.1088/0953-8984/25/16/165802 |
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Journal of Physics Condensed Matter | |
Volumul 25 / 2013 / ISSN 0953-8984 /ISSNe 1361-648X | |
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DOI: https://doi.org/10.1088/0953-8984/25/16/165802 | |
Pag. 0-0 | |
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Order-disorder phase transitions induced by thermal annealing have been studied in the ordered-vacancy compound ZnGa2Se4 by means of Raman scattering and optical absorption measurements. The partially disordered as-grown sample with tetragonal defect stannite (DS) structure and space group has been subjected to controlled heating and cooling cycles. In situ Raman scattering measurements carried out during the whole annealing cycle show that annealing the sample to 400 °C results in a cation ordering in the sample, leading to the crystallization of the ordered tetragonal defect chalcopyrite (DC) structure with space group. On decreasing temperature the ordered cation scheme of the DC phase can be retained at ambient conditions. The symmetry of the Raman-active modes in both DS and DC phases is discussed and the similarities and differences between the Raman spectra of the two phases emphasized. The ordered structure of annealed samples is confirmed by optical absorption measurements and ab initio calculations, that show that the direct bandgap of DC-ZnGa2Se4 is larger than that of DS-ZnGa 2Se4. |
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Cuvinte-cheie ab initio calculations, Defect chalcopyrites, Order disorder phase transitions, Raman active modes, Ambient conditions, Optical absorption measurement, Situ Raman scattering, Thermally activated |
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<meta name="citation_title" content="Thermally activated cation ordering in ZnGa2Se4 single crystals studied by Raman scattering, optical absorption, and ab initio calculations"> <meta name="citation_author" content="Vilaplana Rosario Isabel"> <meta name="citation_author" content="Gomis Oscar"> <meta name="citation_author" content="Perez-Gonzalez Eduardo"> <meta name="citation_author" content="Ortiz Henry M"> <meta name="citation_author" content="Manjon Francisco Javier"> <meta name="citation_author" content="Rodriguez-Hernandez Placida Rogelio"> <meta name="citation_author" content="Munoz Alfonso Gonzalez"> <meta name="citation_author" content="Alonso-Gutiérrez Pablo"> <meta name="citation_author" content="Sanjuán María Luisa"> <meta name="citation_author" content="Ursaki Veacheslav"> <meta name="citation_author" content="Tiginyanu Ion"> <meta name="citation_publication_date" content="2013/04/24"> <meta name="citation_journal_title" content="Journal of Physics Condensed Matter"> <meta name="citation_pdf_url" content="http://iopscience.iop.org/article/10.1088/0953-8984/25/16/165802/meta">