Journal
PHYSICAL REVIEW B
Volume 88, Issue 16, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.88.165106
Keywords
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Funding
- MINECO-Spain [FIS2008-00124, FIS2009-08744, FIS2011-29689, FIS2012-33521]
- Spanish Education Ministry programme [SAB2010-0107]
- European FP7 Marie Curie project [PIEF-GA-2009-251904]
- Italian Project PRIN GRAF [20105ZZTSE]
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Charge, spin, and lattice degrees of freedom are strongly entangled in iron superconductors. A neat consequence of this entanglement is the behavior of the A(1g) As-phonon resonance in the different polarization symmetries of Raman spectroscopy when undergoing the magnetostructural transition. In this work, we show that the observed behavior could be a direct consequence of the coupling of the phonons with the electronic excitations in the anisotropic magnetic state. We discuss this scenario within a five-orbital tight-binding model coupled to phonons via the dependence of the Slater-Koster parameters on the As position. We identify two qualitatively different channels of the electron-phonon interaction: a geometrical one related to the Fe-As-Fe angle alpha and another one associated with the modification upon As displacement of the Fe-As energy integrals pd sigma and pd pi. While both mechanisms result in a finite B-1g response, the behavior of the phonon intensity in the A(1g) and B-1g Raman polarization geometries is qualitatively different when the coupling is driven by the angle or by the energy integral dependence. We discuss our results in view of the experimental reports.
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