Orbital transmutation and the electronic spectrum of FeSe in the nematic phase
Abstract
We consider the electronic spectrum near M=(π,π) in the nematic phase of FeSe (T < Tnem) and make a detailed comparison with recent ARPES and STM experiments. Our main focus is the unexpected temperature dependence of the excitations at the M point. These have been identified as having xz and yz orbital character well below Tnem, but remain split at T > Tnem, in apparent contradiction to the fact that in the tetragonal phase the xz and yz orbitals are degenerate. Here we present two scenarios which can describe the data. In both scenarios, hybridization terms present in the tetragonal phase leads to an orbital transmutation, a change in the dominant orbital character of some of the bands, between T > Tnem and T << Tnem. The first scenario relies on the spin-orbit coupling at the M point. We show that a finite spin-orbit coupling gives rise to orbital transmutation, in which one of the modes, identified as xz (yz) at T << Tnem, becomes predominantly xy at T > Tnem and hence does not merge with the predominantly yz (xz) mode. The second scenario, complementary to the first, takes into consideration the fact that both ARPES and STM aremore »
- Authors:
- Publication Date:
- Research Org.:
- Univ. of Minnesota, Minneapolis, MN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1581211
- Alternate Identifier(s):
- OSTI ID: 1656924; OSTI ID: 1660773
- Grant/Contract Number:
- SC0012336; SC0014402; SC0020045
- Resource Type:
- Published Article
- Journal Name:
- Physical Review Research
- Additional Journal Information:
- Journal Name: Physical Review Research Journal Volume: 2 Journal Issue: 1; Journal ID: ISSN 2643-1564
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Nematic order; Spin-orbit coupling; Chalcogenides; Iron-based superconductors; k dot p method; Fe-based superconductors
Citation Formats
Christensen, Morten H., Fernandes, Rafael M., and Chubukov, Andrey V. Orbital transmutation and the electronic spectrum of FeSe in the nematic phase. United States: N. p., 2020.
Web. doi:10.1103/PhysRevResearch.2.013015.
Christensen, Morten H., Fernandes, Rafael M., & Chubukov, Andrey V. Orbital transmutation and the electronic spectrum of FeSe in the nematic phase. United States. doi:10.1103/PhysRevResearch.2.013015.
Christensen, Morten H., Fernandes, Rafael M., and Chubukov, Andrey V. Mon .
"Orbital transmutation and the electronic spectrum of FeSe in the nematic phase". United States. doi:10.1103/PhysRevResearch.2.013015.
@article{osti_1581211,
title = {Orbital transmutation and the electronic spectrum of FeSe in the nematic phase},
author = {Christensen, Morten H. and Fernandes, Rafael M. and Chubukov, Andrey V.},
abstractNote = {We consider the electronic spectrum near M=(π,π) in the nematic phase of FeSe (T < Tnem) and make a detailed comparison with recent ARPES and STM experiments. Our main focus is the unexpected temperature dependence of the excitations at the M point. These have been identified as having xz and yz orbital character well below Tnem, but remain split at T > Tnem, in apparent contradiction to the fact that in the tetragonal phase the xz and yz orbitals are degenerate. Here we present two scenarios which can describe the data. In both scenarios, hybridization terms present in the tetragonal phase leads to an orbital transmutation, a change in the dominant orbital character of some of the bands, between T > Tnem and T << Tnem. The first scenario relies on the spin-orbit coupling at the M point. We show that a finite spin-orbit coupling gives rise to orbital transmutation, in which one of the modes, identified as xz (yz) at T << Tnem, becomes predominantly xy at T > Tnem and hence does not merge with the predominantly yz (xz) mode. The second scenario, complementary to the first, takes into consideration the fact that both ARPES and STM are surface probes. In the bulk, a direct hybridization between the xz and yz orbitals is not allowed at the M point, however, it is permitted on the surface. In the presence of a direct xz/yz hybridization, the orbital character of the xz/yz modes changes from pure xz and pure yz at T << Tnem to xz±yz at T > Tnem, i.e., the two modes again have mono-orbital character at low T, but do not merge at Tnem. We discuss how these scenarios can be distinguished in polarized ARPES experiments.},
doi = {10.1103/PhysRevResearch.2.013015},
journal = {Physical Review Research},
number = 1,
volume = 2,
place = {United States},
year = {2020},
month = {1}
}
DOI: 10.1103/PhysRevResearch.2.013015
Works referenced in this record:
Anomalous temperature evolution of the electronic structure of FeSe
journal, September 2017
- Kushnirenko, Y. S.; Kordyuk, A. A.; Fedorov, A. V.
- Physical Review B, Vol. 96, Issue 10
Electronic anisotropies revealed by detwinned angle-resolved photo-emission spectroscopy measurements of FeSe
journal, October 2017
- Watson, Matthew D.; Haghighirad, Amir A.; Rhodes, Luke C.
- New Journal of Physics, Vol. 19, Issue 10
Strongly enhanced temperature dependence of the chemical potential in FeSe
journal, May 2017
- Rhodes, L. C.; Watson, M. D.; Haghighirad, A. A.
- Physical Review B, Vol. 95, Issue 19
Quantum oscillations and upper critical magnetic field of the iron-based superconductor FeSe
journal, January 2015
- Audouard, Alain; Duc, Fabienne; Drigo, Loïc
- EPL (Europhysics Letters), Vol. 109, Issue 2
Selective Mott Physics as a Key to Iron Superconductors
journal, April 2014
- de’ Medici, Luca; Giovannetti, Gianluca; Capone, Massimo
- Physical Review Letters, Vol. 112, Issue 17
Distinguishing spin-orbit coupling and nematic order in the electronic spectrum of iron-based superconductors
journal, December 2014
- Fernandes, Rafael M.; Vafek, Oskar
- Physical Review B, Vol. 90, Issue 21
Superconductivity in the PbO-type structure -FeSe
journal, September 2008
- Hsu, F. -C.; Luo, J. -Y.; Yeh, K. -W.
- Proceedings of the National Academy of Sciences, Vol. 105, Issue 38
Orbital selectivity in Hund's metals: The iron chalcogenides
journal, January 2013
- Lanatà, Nicola; Strand, Hugo U. R.; Giovannetti, Gianluca
- Physical Review B, Vol. 87, Issue 4
Classification of symmetry derived pairing at the point in FeSe
journal, July 2018
- Eugenio, P. Myles; Vafek, Oskar
- Physical Review B, Vol. 98, Issue 1
Momentum Dependence of the Nematic Order Parameter in Iron-Based Superconductors
journal, August 2019
- Pfau, H.; Chen, S. D.; Yi, M.
- Physical Review Letters, Vol. 123, Issue 6
Superconductivity in FeSe: The Role of Nematic Order
journal, June 2018
- Kang, Jian; Fernandes, Rafael M.; Chubukov, Andrey
- Physical Review Letters, Vol. 120, Issue 26
Scaling of the superconducting gap with orbital character in FeSe
journal, November 2018
- Rhodes, Luke C.; Watson, Matthew D.; Haghighirad, Amir A.
- Physical Review B, Vol. 98, Issue 18
Space group symmetry, spin-orbit coupling, and the low-energy effective Hamiltonian for iron-based superconductors
journal, October 2013
- Cvetkovic, Vladimir; Vafek, Oskar
- Physical Review B, Vol. 88, Issue 13
The Key Ingredients of the Electronic Structure of FeSe
journal, March 2018
- Coldea, Amalia I.; Watson, Matthew D.
- Annual Review of Condensed Matter Physics, Vol. 9, Issue 1
One-Fe versus Two-Fe Brillouin Zone of Fe-Based Superconductors: Creation of the Electron Pockets by Translational Symmetry Breaking
journal, December 2011
- Lin, Chia-Hui; Berlijn, Tom; Wang, Limin
- Physical Review Letters, Vol. 107, Issue 25
Momentum-dependent sign inversion of orbital order in superconducting FeSe
journal, November 2015
- Suzuki, Y.; Shimojima, T.; Sonobe, T.
- Physical Review B, Vol. 92, Issue 20
Orbital-dependent Fermi surface shrinking as a fingerprint of nematicity in FeSe
journal, October 2016
- Fanfarillo, Laura; Mansart, Joseph; Toulemonde, Pierre
- Physical Review B, Vol. 94, Issue 15
Competing instabilities, orbital ordering, and splitting of band degeneracies from a parquet renormalization group analysis of a four-pocket model for iron-based superconductors: Application to FeSe
journal, February 2017
- Xing, Rui-Qi; Classen, Laura; Khodas, Maxim
- Physical Review B, Vol. 95, Issue 8
Direct observation of spin–orbit coupling in iron-based superconductors
journal, December 2015
- Borisenko, S. V.; Evtushinsky, D. V.; Liu, Z. -H.
- Nature Physics, Vol. 12, Issue 4
Nematic pairing from orbital-selective spin fluctuations in FeSe
journal, November 2018
- Benfatto, Lara; Valenzuela, Belén; Fanfarillo, Laura
- npj Quantum Materials, Vol. 3, Issue 1
Superconductivity in FeSe Thin Films Driven by the Interplay between Nematic Fluctuations and Spin-Orbit Coupling
journal, November 2016
- Kang, Jian; Fernandes, Rafael M.
- Physical Review Letters, Vol. 117, Issue 21
Emergence of the nematic electronic state in FeSe
journal, April 2015
- Watson, M. D.; Kim, T. K.; Haghighirad, A. A.
- Physical Review B, Vol. 91, Issue 15
Orbital selective pairing and gap structures of iron-based superconductors
journal, May 2017
- Kreisel, Andreas; Andersen, Brian M.; Sprau, P. O.
- Physical Review B, Vol. 95, Issue 17
Nematicity, magnetism and superconductivity in FeSe
journal, December 2017
- Böhmer, Anna E.; Kreisel, Andreas
- Journal of Physics: Condensed Matter, Vol. 30, Issue 2
Discovery of orbital-selective Cooper pairing in FeSe
journal, July 2017
- Sprau, P. O.; Kostin, A.; Kreisel, A.
- Science, Vol. 357, Issue 6346
Nematic Energy Scale and the Missing Electron Pocket in FeSe
journal, December 2019
- Yi, M.; Pfau, H.; Zhang, Y.
- Physical Review X, Vol. 9, Issue 4
Lifting of xz / yz orbital degeneracy at the structural transition in detwinned FeSe
journal, September 2014
- Shimojima, T.; Suzuki, Y.; Sonobe, T.
- Physical Review B, Vol. 90, Issue 12
Orbital-selective Mott phase in multiorbital models for iron pnictides and chalcogenides
journal, September 2017
- Yu, Rong; Si, Qimiao
- Physical Review B, Vol. 96, Issue 12
Distinct pressure evolution of coupled nematic and magnetic orders in FeSe
journal, August 2019
- Böhmer, Anna E.; Kothapalli, Karunakar; Jayasekara, Wageesha T.
- Physical Review B, Vol. 100, Issue 6
Three-dimensional superconducting gap in FeSe from angle-resolved photoemission spectroscopy
journal, May 2018
- Kushnirenko, Y. S.; Fedorov, A. V.; Haubold, E.
- Physical Review B, Vol. 97, Issue 18
Tetragonal-to-Orthorhombic Structural Phase Transition at 90 K in the Superconductor
journal, July 2009
- McQueen, T. M.; Williams, A. J.; Stephens, P. W.
- Physical Review Letters, Vol. 103, Issue 5
Sign-Reversing Orbital Polarization in the Nematic Phase of FeSe due to the Symmetry Breaking in the Self-Energy
journal, June 2016
- Onari, Seiichiro; Yamakawa, Youichi; Kontani, Hiroshi
- Physical Review Letters, Vol. 116, Issue 22
Effect of nematic ordering on electronic structure of FeSe
journal, November 2016
- Fedorov, A.; Yaresko, A.; Kim, T. K.
- Scientific Reports, Vol. 6, Issue 1
Anomalous Fermi surface in FeSe seen by Shubnikov–de Haas oscillation measurements
journal, October 2014
- Terashima, Taichi; Kikugawa, Naoki; Kiswandhi, Andhika
- Physical Review B, Vol. 90, Issue 14
Evidence for unidirectional nematic bond ordering in FeSe
journal, November 2016
- Watson, M. D.; Kim, T. K.; Rhodes, L. C.
- Physical Review B, Vol. 94, Issue 20
Dome-shaped magnetic order competing with high-temperature superconductivity at high pressures in FeSe
journal, July 2016
- Sun, J. P.; Matsuura, K.; Ye, G. Z.
- Nature Communications, Vol. 7, Issue 1
Unusual band renormalization in the simplest iron-based superconductor
journal, June 2014
- Maletz, J.; Zabolotnyy, V. B.; Evtushinsky, D. V.
- Physical Review B, Vol. 89, Issue 22
Magnetism, Superconductivity, and Spontaneous Orbital Order in Iron-Based Superconductors: Which Comes First and Why?
journal, December 2016
- Chubukov, Andrey V.; Khodas, M.; Fernandes, Rafael M.
- Physical Review X, Vol. 6, Issue 4
Stabilizing the spin vortex crystal phase in two-dimensional iron-based superconductors
journal, February 2017
- O'Halloran, Joseph; Agterberg, D. F.; Chen, M. X.
- Physical Review B, Vol. 95, Issue 7
Spin reorientation driven by the interplay between spin-orbit coupling and Hund's rule coupling in iron pnictides
journal, December 2015
- Christensen, Morten H.; Kang, Jian; Andersen, Brian M.
- Physical Review B, Vol. 92, Issue 21
Intertwined spin-orbital coupled orders in the iron-based superconductors
journal, July 2019
- Christensen, Morten H.; Kang, Jian; Fernandes, Rafael M.
- Physical Review B, Vol. 100, Issue 1