Correlation effects in the tetragonal and collapsed tetragonal phase of CaFe2As2

Abstract

We investigate the role of correlations in the tetragonal and collapsed tetragonal phases of CaFe2As2 by performing charge self-consistent DFT+DMFT (density functional theory combined with dynamical mean-field theory) calculations. While the topology of the Fermi surface is basically unaffected by the inclusion of correlation effects, we find important orbital-dependent mass renormalizations which show good agreement with recent angle-resolved photoemission (ARPES) experiments. Moreover, we observe a markedly different behavior of these quantities between the low-pressure tetragonal and the high-pressure collapsed tetragonal phase. We attribute these effects to the increased hybridization between the iron- and arsenic orbitals as one enters the collapsed tetragonal phase.

6 pages, 6 figures

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Cited by in corpus (6)

• Origin of the superconducting state in the collapsed tetragonal phase of KFe2As2
• Tuning electronic correlations in transition metal pnictides: chemistry beyond the valence count
• Formation of As-As Bond and Its Effect on Absence of Superconductivity in Collapsed Tetragonal Phase of Ca0.86Pr0.14Fe2As2 : An Optical Spectroscopy Study
• Influence of the surface symmetry breaking on the magnetism, collapsing and three dimensional dispersion of Co pnictides ACo2As2 (A=Ba, Sr, Ca)
• Drastic electronic structure reconstruction of Ca${}_{1-x}$Pr${}_x$Fe${}_2$As${}_2$ in the collapsed tetragonal phase
• Optical spectroscopy study of the collapsed tetragonal phase of CaFe${}_2$(As${}_{0.935}$P${}_{0.065}$)${}_2$ single crystals