Abstract
We present a study of the tetragonal to collapsed-tetragonal transition of CaFe2As2 using angle-resolved photoemission spectroscopy and dynamical mean field theory-based electronic structure calculations. We observe that the collapsed-tetragonal phase exhibits reduced correlations and a higher coherence temperature due to the stronger Fe-As hybridization. Furthermore, a comparison of measured photoemission spectra and theoretical spectral functions shows that momentum-dependent corrections to the density functional band structure are essential for the description of low-energy quasiparticle dispersions. We introduce those using the recently proposed combined "screened exchange + dynamical mean field theory" scheme.
| Original language | English |
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| Article number | 245139 |
| Journal | Physical Review B |
| Volume | 93 |
| Issue number | 24 |
| DOIs | |
| Publication status | Published - 20 Jun 2016 |
| Externally published | Yes |