Orbital-Selective Mott Transition Effects and Nontrivial Topology of Iron Chalcogenide

Kim, Minjae; Choi, Sangkook; Brito, Walber Hugo; Kotliar, Gabriel

doi:10.1103/PhysRevLett.132.136504

Title: Orbital-Selective Mott Transition Effects and Nontrivial Topology of Iron Chalcogenide

Journal Article · 28 March 2024 · Physical Review Letters

DOI: https://doi.org/10.1103/PhysRevLett.132.136504 · OSTI ID:2331343

Kim, Minjae; Choi, Sangkook; Brito, Walber Hugo; Kotliar, Gabriel

Not Available

View Accepted Manuscript (Publisher)

Cite

Export

Save

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 2331343

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 13 Vol. 132; ISSN 0031-9007; ISSN PRLTAO

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (62)

Quantum Computing in the NISQ era and beyond Preskill, John Quantum, Vol. 2 https://doi.org/10.22331/q-2018-08-06-79	journal	August 2018
Correlation-corrected band topology and topological surface states in iron-based superconductors Ma, Xiaobo; Wang, Guangwei; Liu, Rui Physical Review B, Vol. 106, Issue 11 https://doi.org/10.1103/PhysRevB.106.115114	journal	September 2022
Imaginary-time matrix product state impurity solver in a real material calculation: Spin-orbit coupling in Sr 2 RuO 4 Linden, Nils-Oliver; Zingl, Manuel; Hubig, Claudius Physical Review B, Vol. 101, Issue 4 https://doi.org/10.1103/PhysRevB.101.041101	journal	January 2020
Is the Orbital-Selective Mott Phase Stable against Interorbital Hopping? Kugler, Fabian B.; Kotliar, Gabriel Physical Review Letters, Vol. 129, Issue 9 https://doi.org/10.1103/PhysRevLett.129.096403	journal	August 2022
wannier90: A tool for obtaining maximally-localised Wannier functions Mostofi, Arash A.; Yates, Jonathan R.; Lee, Young-Su Computer Physics Communications, Vol. 178, Issue 9 https://doi.org/10.1016/j.cpc.2007.11.016	journal	May 2008
Bulk superconductivity at 14 K in single crystals of Fe 1 + y Te x Se 1 − x Sales, B. C.; Sefat, A. S.; McGuire, M. A. Physical Review B, Vol. 79, Issue 9 https://doi.org/10.1103/PhysRevB.79.094521	journal	March 2009
Spin-Orbit Coupling and Electronic Correlations in Sr 2 RuO 4 Kim, Minjae; Mravlje, Jernej; Ferrero, Michel Physical Review Letters, Vol. 120, Issue 12 https://doi.org/10.1103/PhysRevLett.120.126401	journal	March 2018
ComDMFT: A massively parallel computer package for the electronic structure of correlated-electron systems Choi, Sangkook; Semon, Patrick; Kang, Byungkyun Computer Physics Communications, Vol. 244 https://doi.org/10.1016/j.cpc.2019.07.003	journal	November 2019
Paired states of fermions in two dimensions with breaking of parity and time-reversal symmetries and the fractional quantum Hall effect Read, N.; Green, Dmitry Physical Review B, Vol. 61, Issue 15 https://doi.org/10.1103/PhysRevB.61.10267	journal	April 2000
Band inversion and topology of the bulk electronic structure in FeSe 0.45 Te 0.55 Lohani, Himanshu; Hazra, Tamaghna; Ribak, Amit Physical Review B, Vol. 101, Issue 24 https://doi.org/10.1103/PhysRevB.101.245146	journal	June 2020
Evidence for dispersing 1D Majorana channels in an iron-based superconductor Wang, Zhenyu; Rodriguez, Jorge Olivares; Jiao, Lin Science, Vol. 367, Issue 6473 https://doi.org/10.1126/science.aaw8419	journal	January 2020
Observation of universal strong orbital-dependent correlation effects in iron chalcogenides Yi, M.; Liu, Z-K; Zhang, Y. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8777	journal	July 2015
Inhomogeneous dynamical mean-field theory of the small polaron problem Richler, Kevin-Davis; Fratini, Simone; Ciuchi, Sergio Journal of Physics: Condensed Matter, Vol. 30, Issue 46 https://doi.org/10.1088/1361-648X/aae619	journal	October 2018
Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions Georges, Antoine; Kotliar, Gabriel; Krauth, Werner Reviews of Modern Physics, Vol. 68, Issue 1 https://doi.org/10.1103/RevModPhys.68.13	journal	January 1996
Numerical solution of the d =∞ Hubbard model: Evidence for a Mott transition Georges, Antoine; Krauth, Werner Physical Review Letters, Vol. 69, Issue 8 https://doi.org/10.1103/PhysRevLett.69.1240	journal	August 1992
Quantum Monte Carlo impurity solver for cluster dynamical mean-field theory and electronic structure calculations with adjustable cluster base Haule, Kristjan Physical Review B, Vol. 75, Issue 15 https://doi.org/10.1103/PhysRevB.75.155113	journal	April 2007
Inhomogeneous Electron Gas Hohenberg, P.; Kohn, W. Physical Review, Vol. 136, Issue 3B, p. B864-B871 https://doi.org/10.1103/PhysRev.136.B864	journal	November 1964
Iron pnictides and chalcogenides: a new paradigm for superconductivity Fernandes, Rafael M.; Coldea, Amalia I.; Ding, Hong Nature, Vol. 601, Issue 7891 https://doi.org/10.1038/s41586-021-04073-2	journal	January 2022
Fault-tolerant quantum computation by anyons Kitaev, A. Yu. Annals of Physics, Vol. 303, Issue 1 https://doi.org/10.1016/S0003-4916(02)00018-0	journal	January 2003
A new construction of thermodynamic mean-field theories of itinerant fermions: application to the Falicov-Kimball model Janiš, V. Zeitschrift für Physik B Condensed Matter, Vol. 83, Issue 2 https://doi.org/10.1007/BF01309423	journal	June 1991
Space group symmetry, spin-orbit coupling, and the low-energy effective Hamiltonian for iron-based superconductors Cvetkovic, Vladimir; Vafek, Oskar Physical Review B, Vol. 88, Issue 13 https://doi.org/10.1103/PhysRevB.88.134510	journal	October 2013
Electronic structure of Pu and Am metals by self-consistent relativistic G W method Kutepov, Andrey; Haule, Kristjan; Savrasov, Sergey Y. Physical Review B, Vol. 85, Issue 15 https://doi.org/10.1103/PhysRevB.85.155129	journal	April 2012
Interplay of paramagnetism and topology in the Fe-chalcogenide high- T c superconductors Rameau, J. D.; Zaki, N.; Gu, G. D. Physical Review B, Vol. 99, Issue 20 https://doi.org/10.1103/PhysRevB.99.205117	journal	May 2019
Self-Consistent Equations Including Exchange and Correlation Effects Kohn, W.; Sham, L. J. Physical Review, Vol. 140, Issue 4A, p. A1133-A1138 https://doi.org/10.1103/PhysRev.140.A1133	journal	November 1965
Ordered and tunable Majorana-zero-mode lattice in naturally strained LiFeAs Li, Meng; Li, Geng; Cao, Lu Nature, Vol. 606, Issue 7916 https://doi.org/10.1038/s41586-022-04744-8	journal	June 2022
Superconducting Proximity Effect and Majorana Fermions at the Surface of a Topological Insulator Fu, Liang; Kane, C. L. Physical Review Letters, Vol. 100, Issue 9 https://doi.org/10.1103/PhysRevLett.100.096407	journal	March 2008
Accelerated impurity solver for DMFT and its diagrammatic extensions Melnick, Corey; Sémon, Patrick; Yu, Kwangmin Computer Physics Communications, Vol. 267 https://doi.org/10.1016/j.cpc.2021.108075	journal	October 2021
First-principles treatment of Mott insulators: linearized QSGW+DMFT approach Choi, Sangkook; Kutepov, Andrey; Haule, Kristjan npj Quantum Materials, Vol. 1, Issue 1 https://doi.org/10.1038/npjquantmats.2016.1	journal	July 2016
Mott-Hubbard transition in infinite dimensions Rozenberg, M. J.; Zhang, X. Y.; Kotliar, G. Physical Review Letters, Vol. 69, Issue 8 https://doi.org/10.1103/PhysRevLett.69.1236	journal	August 1992
Alleviating the sign problem in quantum Monte Carlo simulations of spin-orbit-coupled multiorbital Hubbard models Kim, Aaram J.; Werner, Philipp; Valentí, Roser Physical Review B, Vol. 101, Issue 4 https://doi.org/10.1103/PhysRevB.101.045108	journal	January 2020
Dynamical mean-field theory within the full-potential methods: Electronic structure of CeIrIn 5 , CeCoIn 5 , and CeRhIn 5 Haule, Kristjan; Yee, Chuck-Hou; Kim, Kyoo Physical Review B, Vol. 81, Issue 19 https://doi.org/10.1103/PhysRevB.81.195107	journal	May 2010
Electronic properties of the bulk and surface states of Fe1+yTe1−xSex Li, Yangmu; Zaki, Nader; Garlea, Vasile O. Nature Materials, Vol. 20, Issue 9 https://doi.org/10.1038/s41563-021-00984-7	journal	April 2021
Correlated fermions on a lattice in high dimensions M�ller-Hartmann, E. Zeitschrift f�r Physik B Condensed Matter, Vol. 74, Issue 4 https://doi.org/10.1007/BF01311397	journal	December 1989
Linearized self-consistent quasiparticle GW method: Application to semiconductors and simple metals Kutepov, A. L.; Oudovenko, V. S.; Kotliar, G. Computer Physics Communications, Vol. 219 https://doi.org/10.1016/j.cpc.2017.06.012	journal	October 2017
Tellurium substitution effect on superconductivity of the α-phase iron selenide Yeh, Kuo-Wei; Huang, Tzu-Wen; Huang, Yi-lin EPL (Europhysics Letters), Vol. 84, Issue 3 https://doi.org/10.1209/0295-5075/84/37002	journal	October 2008
Fractional power-law behavior and its origin in iron-chalcogenide and ruthenate superconductors: Insights from first-principles calculations Yin, Z. P.; Haule, K.; Kotliar, G. Physical Review B, Vol. 86, Issue 19 https://doi.org/10.1103/PhysRevB.86.195141	journal	November 2012
Quantum technology: the second quantum revolution Dowling, Jonathan P.; Milburn, Gerard J. Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences, Vol. 361, Issue 1809 https://doi.org/10.1098/rsta.2003.1227	journal	June 2003
First-order magnetic and structural phase transitions in Fe 1 + y Se x Te 1 − x Li, Shiliang; de la Cruz, Clarina; Huang, Q. Physical Review B, Vol. 79, Issue 5 https://doi.org/10.1103/PhysRevB.79.054503	journal	February 2009
Unpaired Majorana fermions in quantum wires Kitaev, A. Yu Physics-Uspekhi, Vol. 44, Issue 10S https://doi.org/10.1070/1063-7869/44/10S/S29	journal	October 2001
Topological Superconductivity on the Surface of Fe-Based Superconductors Xu, Gang; Lian, Biao; Tang, Peizhe Physical Review Letters, Vol. 117, Issue 4 https://doi.org/10.1103/PhysRevLett.117.047001	journal	July 2016
WIEN2k: An APW+lo program for calculating the properties of solids Blaha, Peter; Schwarz, Karlheinz; Tran, Fabien The Journal of Chemical Physics, Vol. 152, Issue 7 https://doi.org/10.1063/1.5143061	journal	February 2020
Superconductivity close to magnetic instability in Fe ( Se 1 − x Te x ) 0.82 Fang, M. H.; Pham, H. M.; Qian, B. Physical Review B, Vol. 78, Issue 22 https://doi.org/10.1103/PhysRevB.78.224503	journal	December 2008
FeTe as a candidate material for new iron-based superconductor Mizuguchi, Y.; Tomioka, F.; Tsuda, S. Physica C: Superconductivity, Vol. 469, Issue 15-20 https://doi.org/10.1016/j.physc.2009.05.177	journal	October 2009
Universal 2 Δ max / k B T c scaling decoupled from the electronic coherence in iron-based superconductors Miao, H.; Brito, W. H.; Yin, Z. P. Physical Review B, Vol. 98, Issue 2 https://doi.org/10.1103/PhysRevB.98.020502	journal	July 2018
Topological nature of the FeSe 0.5 Te 0.5 superconductor Wang, Zhijun; Zhang, P.; Xu, Gang Physical Review B, Vol. 92, Issue 11 https://doi.org/10.1103/PhysRevB.92.115119	journal	September 2015
Spatial locality of electronic correlations in LiFeAs Kim, Minjae; Miao, Hu; Choi, Sangkook Physical Review B, Vol. 103, Issue 15 https://doi.org/10.1103/PhysRevB.103.155107	journal	April 2021
Evidence for Majorana bound states in an iron-based superconductor Wang, Dongfei; Kong, Lingyuan; Fan, Peng Science, Vol. 362, Issue 6412 https://doi.org/10.1126/science.aao1797	journal	August 2018
Hubbard model in infinite dimensions Georges, Antoine; Kotliar, Gabriel Physical Review B, Vol. 45, Issue 12 https://doi.org/10.1103/PhysRevB.45.6479	journal	March 1992
Revealing the Origin of Time-Reversal Symmetry Breaking in Fe-Chalcogenide Superconductor FeTe1−xSex Farhang, Camron; Zaki, Nader; Wang, Jingyuan Physical Review Letters, Vol. 130, Issue 4 https://doi.org/10.1103/PhysRevLett.130.046702	journal	January 2023
Merging GW with DMFT and non-local correlations beyond Tomczak, J. M.; Liu, P.; Toschi, A. The European Physical Journal Special Topics, Vol. 226, Issue 11 https://doi.org/10.1140/epjst/e2017-70053-1	journal	July 2017
Orbital-selective Mott phase in multiorbital models for iron pnictides and chalcogenides Yu, Rong; Si, Qimiao Physical Review B, Vol. 96, Issue 12 https://doi.org/10.1103/PhysRevB.96.125110	journal	September 2017
Neutron scattering measurements of the phonon density of states of FeSe 1 − x superconductors Phelan, D.; Millican, J. N.; Thomas, E. L. Physical Review B, Vol. 79, Issue 1 https://doi.org/10.1103/PhysRevB.79.014519	journal	January 2009
The Second Quantum Revolution: Role and Challenges of Molecular Chemistry Atzori, Matteo; Sessoli, Roberta Journal of the American Chemical Society, Vol. 141, Issue 29 https://doi.org/10.1021/jacs.9b00984	journal	June 2019
Hubbard model in infinite dimensions: A quantum Monte Carlo study Jarrell, M. Physical Review Letters, Vol. 69, Issue 1 https://doi.org/10.1103/PhysRevLett.69.168	journal	July 1992
Observation of topological superconductivity on the surface of an iron-based superconductor Zhang, Peng; Yaji, Koichiro; Hashimoto, Takahiro Science, Vol. 360, Issue 6385 https://doi.org/10.1126/science.aan4596	journal	March 2018
Time-reversal symmetry breaking in the Fe-chalcogenide superconductors Zaki, Nader; Gu, Genda; Tsvelik, Alexei Proceedings of the National Academy of Sciences, Vol. 118, Issue 3 https://doi.org/10.1073/pnas.2007241118	journal	January 2021
Thermodynamics and correlation functions of the Falicov-Kimball model in large dimensions Brandt, U.; Mielsch, C. Zeitschrift f�r Physik B Condensed Matter, Vol. 75, Issue 3 https://doi.org/10.1007/BF01321824	journal	September 1989
Spin-Orbit Interactions and the Nematicity Observed in the Fe-Based Superconductors Johnson, P. D.; Yang, H. -B.; Rameau, J. D. Physical Review Letters, Vol. 114, Issue 16 https://doi.org/10.1103/PhysRevLett.114.167001	journal	April 2015
High-Resolution Photoemission on Sr 2 RuO 4 Reveals Correlation-Enhanced Effective Spin-Orbit Coupling and Dominantly Local Self-Energies Tamai, A.; Zingl, M.; Rozbicki, E. Physical Review X, Vol. 9, Issue 2 https://doi.org/10.1103/PhysRevX.9.021048	journal	June 2019
Correlated Lattice Fermions in d = ∞ Dimensions Metzner, Walter; Vollhardt, Dieter Physical Review Letters, Vol. 62, Issue 3 https://doi.org/10.1103/PhysRevLett.62.324	journal	January 1989
Correlation-driven electronic reconstruction in FeTe1−xSex Huang, Jianwei; Yu, Rong; Xu, Zhijun Communications Physics, Vol. 5, Issue 1 https://doi.org/10.1038/s42005-022-00805-6	journal	January 2022
The crystal structure of Tegel, M.; Löhnert, C.; Johrendt, D. Solid State Communications, Vol. 150, Issue 9-10 https://doi.org/10.1016/j.ssc.2010.01.002	journal	March 2010

Similar Records

Interaction-induced topological phase transition and Majorana edge states in low-dimensional orbital-selective Mott insulators

Journal Article · 2021 · Nature Communications · OSTI ID:1785167

Herbrych, J.; Środa, M.; Alvarez, G.; +2 more

Dynamical correlations leading to site and orbital selective Mott insulator transition in hydrogen doped

{SmNiO}_{3}

Journal Article · 2024 · Physical Review. B · OSTI ID:2356861

Bhat, Soumya S.; Singh, Vijay; Herath, Uthpala; +4 more

Quantum phase transition between orbital-selective Mott states in Hund's metals

Journal Article · 2014 · Physical Review B · OSTI ID:1181187

Rincón, Julián; Moreo, Adriana; Alvarez, Gonzalo; +1 more

Title: Orbital-Selective Mott Transition Effects and Nontrivial Topology of Iron Chalcogenide

Citation Formats

References (62)

Similar Records

Related Subjects