Insight on a novel layered semiconductors: CuTlS and CuTlSe
| Autor: | Yury M. Koroteev, F. J. Zúñiga, Tomasz Breczewski, Gotzon Madariaga, Ziya S. Aliev, Antonio Politano, Imamaddin R. Amiraslanov, Mahammad B. Babanly, Nizamaddin B. Babanly, Evgueni V. Chulkov |
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| Přispěvatelé: | Ministerio de Economía y Competitividad (España), Eusko Jaurlaritza, Universidad del País Vasco, Ministerio de Ciencia e Innovación (España), European Commission, Saint Petersburg State University |
| Rok vydání: | 2016 |
| Předmět: |
Materials science
02 engineering and technology Crystal structure 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences 0104 chemical sciences Electronic Optical and Magnetic Materials Inorganic Chemistry Tetragonal crystal system Crystallography Electrical resistivity and conductivity Materials Chemistry Ceramics and Composites Density functional theory Direct and indirect band gaps Physical and Theoretical Chemistry 0210 nano-technology Electronic band structure Ternary operation Single crystal |
| Zdroj: | Digital.CSIC: Repositorio Institucional del CSIC Consejo Superior de Investigaciones Científicas (CSIC) Digital.CSIC. Repositorio Institucional del CSIC instname |
| Popis: | Single crystals of the ternary copper compounds CuTlS and CuTlSe have been successfully grown from stoichiometric melt by using vertical Bridgman-Stockbarger method. The crystal structure of the both compounds has been determined by powder and single crystal X-Ray diffraction. They crystallize in the PbFCl structure type with two formula units in the tetragonal system, space group P4/nmm, а=3.922(2); c=8.123(6); Z=2 and а=4.087(6); c=8.195(19) Å; Z=2, respectively. The band structure of the reported compounds has been analyzed by means of full-potential linearized augmented plane-wave (FLAPW) method based on the density functional theory (DFT). Both compounds have similar band structures and are narrow-gap semiconductors with indirect band gap. The resistivity measurements agree with a semiconductor behavior although anomalies are observed at low temperature. We acknowledge partial support from the Science Foundation of the State Oil Company of Azerbaijan Republic (SOCAR) (project no. 17.10.2014.16), the Spanish Ministerio de Economía y Competitividad (MINECO), the FEDER funds (MAT2012-34740), the Basque Country Government, Departamento de Educación, Universidades e Investigación (project IT779-13; Grant no. IT-756-13), the Spanish Ministerio de Ciencia e Innovación (Grant no. FIS2010-19609-C02-01) and the Saint Petersburg State University (project no. 15.61.202.2015). |
| Databáze: | OpenAIRE |
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