期刊
JOURNAL OF APPLIED PHYSICS
卷 111, 期 1, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3675162
关键词
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资金
- Spanish government MICINN [MAT2010-21270-C04-01/03/04]
- Generalitat Valenciana [GV06/151]
- MALTA [CSD2007-00045]
- Vicerrectorado de Investigacion y Desarrollo of the Universitat Politecnica de Valencia [UPV2012-1469]
- Spanish MICINN [CTQ2009-14596-C02-01]
- Comunidad de Madrid
- European Social Fund [S2009/PPQ-1551 4161893 (QUI-MAPRES)]
High-pressure optical absorption and Raman scattering measurements have been performed in defect chalcopyrite (DC) CdGa2Se4 up to 22 GPa during two pressure cycles to investigate the pressure-induced order-disorder phase transitions taking place in this ordered-vacancy compound. Our measurements reveal that on decreasing pressure from 22 GPa, the sample does not revert to the initial phase but likely to a disordered zinc blende (DZ) structure the direct bandgap and Raman-active modes of which have been measured during a second upstroke. Our measurements have been complemented with electronic structure and lattice dynamical ab initio calculations. Lattice dynamical calculations have helped us to discuss and assign the symmetries of the Raman modes of the DC phase. Additionally, our electronic band structure calculations have helped us in discussing the order-disorder effects taking place above 6-8 GPa during the first upstroke. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3675162]
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