Tetragonal and collapsed-tetragonal phases of CaFe2As2: A view from angle-resolved photoemission and dynamical mean-field theory

  • Ambroise Van Roekeghem
  • , Pierre Richard
  • , Xun Shi
  • , Shangfei Wu
  • , Lingkun Zeng
  • , Bayrammurad Saparov
  • , Yoshiyuki Ohtsubo
  • , Tian Qian
  • , Athena S. Sefat
  • , Silke Biermann
  • , Hong Ding

Research output: Contribution to journalArticlepeer-review

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 languageEnglish
Article number245139
JournalPhysical Review B
Volume93
Issue number24
DOIs
Publication statusPublished - 20 Jun 2016
Externally publishedYes

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