Journal
SOLID STATE COMMUNICATIONS
Volume 159, Issue -, Pages 45-48Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ssc.2013.01.007
Keywords
Iron-based superconductor; Lattice dynamics; Electron-phonon interaction; First-principles
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Funding
- National Natural Science Foundation of China [10947005, 11204138]
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We present a first-principles pseudopotential study on the phonon structure and the electron-phonon (EP) interaction of superconductor FeTe0.5Se0.5 in both the nonmagnetic (NM) and striped antiferromagnetic (SAF) phases with the ordered and disordered structural models. The calculations give similar results for the two different structural models, implying that the superconductivity in FeTe0.5Se0.5 may be insensitive to the local atomic structure. Comparing the phonon behavior in the SAF phase with that in the NM phase, we find that the spin-lattice interaction can lead to the phonon softening and increase EP coupling constant lambda by about 50%. This enhancement EP coupling may play an important role in the superconducting pairing, but this mechanism alone cannot explain the high T-c in superconductor FeTe0.5Se0.5 (C) 2013 Elsevier Ltd. All rights reserved.
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