Hidden Fermi Surface in KxFe2−ySe2: LDA + DMFT Study
- 10 Downloads
In this paper we provide theoretical LDA+DMFT support of recent angle-resolved photoemission spectroscopy (ARPES) observation of the so-called hidden hole-like band and corresponding hidden Fermi surface sheet near Γ-point in the K0.62Fe1.7Se2 compound. To some extent this is a solution to the long-standing riddle of Fermi surface absence around Γ-point in the KxFe2−ySe2 class of iron chalcogenide superconductors. In accordance with the experimental data Fermi surface was found near the Γ-point within LDA+DMFT calculations. Based on the LDA+DMFT analysis in this paper it is shown that the largest of the experimental Fermi surface sheets is actually formed by a hybrid Fe-3d(xy, xz, yz) quasiparticle band. It is also shown that the Fermi surface is not a simple circle as DFT-LDA predicts, but has (according to the LDA+DMFT) a more complicated “propeller”-like structure due to correlations and multiorbital nature of the KxFe2−ySe2 materials. While the smallest experimental Fermi surface around Γ-point is in some sense fictitious, since it is formed by the summation of the intensities of the spectral function associated with “propeller” loupes and is not connected to any of quasiparticle bands.
Unable to display preview. Download preview PDF.
- 3.D.C. Johnson, Adv. Phys. 59, 83 (2010).Google Scholar
- 6.A. A. Kordyuk, Fizika Nizkikh Temperatur 38, 1119 (2012) [Low Temp. Phys. 38, 888 (2012)].Google Scholar
- 7.M.V. Sadovskii, E. Z. Kuchinskii, and I.A. Nekrasov, JMMM 324 3481, (2012).Google Scholar
- 8.I. A. Nekrasov, N. S. Pavlov, M. V. Sadovskii, and A.A. Slobodchikov, Fizika Nizkikh Temperatur 42, 1137 (2016) [Low Temp. Phys. 42, 891 (2016)].Google Scholar
- 9.I.A. Nekrasov, N. S. Pavlov, and M.V. Sadovskii, Pis’ma v ZhETF 105, 354 (2017) [JETP Letters 105, 370 (2017)].Google Scholar
- 10.I.A. Nekrasov, N. S. Pavlov, and M.V. Sadovskii, ZhETF 153, 590 (2018) [JETP 126, 485 (2018)].Google Scholar
- 15.L. Zhao, D. Mou, Sh. Liu et al. (Collaboration), Phys. Rev. B 83, 140508(R) (2011).Google Scholar
- 17.I.A. Nekrasov, N. S. Pavlov, and M.V. Sadovskii, Pis’ma v ZhETF 97, 18 (2013) [JETP Lett. 97, 15 (2013)].Google Scholar
- 18.I.A. Nekrasov, N. S. Pavlov, and M.V. Sadovskii, ZhETF 144, 1061 (2013) [JETP 117, 926 (2013)].Google Scholar
- 19.I.A. Nekrasov, N. S. Pavlov, and M.V. Sadovskii, Pis’ma v ZhETF 95, 659 (2012) [JETP Letters 95, 581 (2012)].Google Scholar
- 20.I.A. Nekrasov, N. S. Pavlov, and M.V. Sadovskii, ZhETF 143, 713 (2013) [JETP 116, 620 (2013)].Google Scholar
- 24.J. Guo, Sh. Jin, G. Wang, Sh. Wang, K. Zhu, T. Zhou, M. He, and X. Chen, Phys. Rev. B 82, 180520(R) (2010).Google Scholar
- 28.M. Ferrero, O. Parcollet, TRIQS: a Toolbox for Research in Interacting Quantum Systems, https://doi.org/ipht.cea.fr/triqs.
- 35.I.A. Nekrasov, N. S. Pavlov, and M.V. Sadovskii, Pis’ma ZhETF 102, 30 (2015) [JETP Lett. 102, 26 (2015)].Google Scholar