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Is the Orbital-Selective Mott Phase Stable against Interorbital Hopping?

Journal Article · · Physical Review Letters
 [1];  [2]
  1. Rutgers Univ., Piscataway, NJ (United States)
  2. Rutgers Univ., Piscataway, NJ (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)
+ Show Author Affiliations
The localization-delocalization transition is at the heart of strong correlation physics. Recently, there is great interest in multiorbital systems where this transition can be restricted to certain orbitals, leading to an orbital-selective Mott phase (OSMP). Theoretically, the OSMP is widely studied for kinetically decoupled orbitals, but the effect of interorbital hopping remains unclear. Here, we show how nonlocal interorbital hopping leads to local hybridization in single-site dynamical mean-field theory (DMFT). Under fairly general circumstances, this implies that, at zero temperature, the OSMP, involving the Mott-insulating state of one orbital, is unstable against interorbital hopping to a different, metallic orbital. We further show that the coherence scale below which all electrons are itinerant is very small and gets exponentially suppressed even if the interorbital hopping is not overly small. Within this framework, the OSMP with interorbital hopping may thus reach down to extremely low temperatures T, but not to T = 0. Accordingly, it is part of a coherence-incoherence crossover and not a quantum critical point. Finally, we present analytical arguments supported by numerical results using the numerical renormalization group as a DMFT impurity solver. We also compare our findings with previous slave-spin studies.
Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
Grant/Contract Number:
SC0012704
OSTI ID:
1893765
Report Number(s):
BNL-223592-2022-JAAM
Journal Information:
Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 9 Vol. 129; ISSN 0031-9007
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (68)

The Hubbard model at high dimensions: some exact results and weak coupling theory journal June 1989
Landau theory of the Mott transition in the fully frustrated Hubbard model in infinite dimensions journal September 1999
Orbital-Selective Mott Transitions: Heavy Fermions and Beyond journal August 2010
Non-abelian symmetries in tensor networks: A quantum symmetry space approach journal December 2012
The Kondo Problem to Heavy Fermions book January 1993
High-temperature superconductivity in iron pnictides and chalcogenides journal March 2016
Observation of universal strong orbital-dependent correlation effects in iron chalcogenides journal July 2015
Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides journal September 2011
Correlation-driven electronic reconstruction in FeTe1−xSex journal January 2022
Numerical renormalization group calculations for the self-energy of the impurity Anderson model journal September 1998
Coherence–incoherence crossover in the normal state of iron oxypnictides and importance of Hund's rule coupling journal February 2009
Doping-driven orbital-selective Mott transition in multi-band Hubbard models with crystal field splitting journal March 2016
Simplified LCAO Method for the Periodic Potential Problem journal June 1954
Symmetric improved estimators for continuous-time quantum Monte Carlo journal August 2019
Orbital differentiation in Hund metals journal September 2019
Improved estimator for numerical renormalization group calculations of the self-energy journal June 2022
Orbital-selective Mott phase and non-Fermi liquid in FePS3 journal January 2022
Spin, charge, and orbital fluctuations in a multiorbital Mott insulator journal July 2005
Effects of interorbital hopping on orbital fluctuations and metal-insulator transitions: Extended linearized dynamical mean-field theory journal August 2005
Orbital-selective Mott transition in multiband systems: Slave-spin representation and dynamical mean-field theory journal November 2005
Effect of crystal-field splitting and interband hybridization on the metal-insulator transitions of strongly correlated systems journal July 2008
Energy resolution and discretization artifacts in the numerical renormalization group journal February 2009
Metal-insulator phase diagram and orbital selectivity in three-orbital models with rotationally invariant Hund coupling journal March 2009
Slave spins away from half filling: Cluster mean-field theory of the Hubbard and extended Hubbard models journal January 2010
Mott transition in three-orbital Hubbard model with orbital splitting journal November 2011
Complete phase diagram for three-band Hubbard model with orbital degeneracy lifted by crystal field splitting journal July 2012
U ( 1 ) slave-spin theory and its application to Mott transition in a multiorbital model for iron pnictides journal August 2012
Fractional power-law behavior and its origin in iron-chalcogenide and ruthenate superconductors: Insights from first-principles calculations journal November 2012
Tensor networks and the numerical renormalization group journal December 2012
Generalized Wilson chain for solving multichannel quantum impurity problems journal March 2014
Analytic theory of Hund's metals: A renormalization group perspective journal January 2015
Experimental observation of incoherent-coherent crossover and orbital-dependent band renormalization in iron chalcogenide superconductors journal December 2015
Interleaved numerical renormalization group as an efficient multiband impurity solver journal June 2016
Temperature-induced orbital selective localization and coherent-incoherent crossover in single-layer FeSe / Nb : BaTiO 3 / KTaO 3 journal September 2016
Orbital-differentiated coherence-incoherence crossover identified by photoemission spectroscopy in LiFeAs journal November 2016
Adaptive broadening to improve spectral resolution in the numerical renormalization group journal December 2016
Validity of the local approximation in iron pnictides and chalcogenides journal May 2017
Orbital-selective Mott phase in multiorbital models for iron pnictides and chalcogenides journal September 2017
Analytical slave-spin mean-field approach to orbital selective Mott insulators journal September 2017
Emergent low-energy bound states in the two-orbital Hubbard model journal March 2018
Possible Mott transition in layered Sr 2 Mn 3 As 2 O 2 single crystals journal April 2019
Incoherent-coherent crossover and the pseudogap in Te-annealed superconducting Fe 1 + y Te 1 − x Se x revealed by magnetotransport measurements journal May 2019
T = 0 Heavy-Fermion Quantum Critical Point as an Orbital-Selective Mott Transition journal December 2008
Orbital-Selective Mott Transition out of Band Degeneracy Lifting journal March 2009
Observation of a Novel Orbital Selective Mott Transition in Ca 1.8 Sr 0.2 RuO 4 journal August 2009
Orbital-Selective Mott Phase in Multiorbital Models for Alkaline Iron Selenides K 1 − x Fe 2 − y Se 2 journal April 2013
Poor Man’s Understanding of Kinks Originating from Strong Electronic Correlations journal June 2013
Evidence of Strong Correlations and Coherence-Incoherence Crossover in the Iron Pnictide Superconductor KFe 2 As 2 journal July 2013
Slave Boson Theory of Orbital Differentiation with Crystal Field Effects: Application to UO 2 journal March 2017
Doublon-Holon Origin of the Subpeaks at the Hubbard Band Edges journal December 2017
Orbital Selectivity Enhanced by Nematic Order in FeSe journal November 2018
Strongly Correlated Materials from a Numerical Renormalization Group Perspective: How the Fermi-Liquid State of Sr 2 RuO 4 Emerges journal January 2020
Bethe-Salpeter Equation at the Critical End Point of the Mott Transition journal September 2020
Eliminating Orbital Selectivity from the Metal-Insulator Transition by Strong Magnetic Fluctuations journal August 2022
Landau Theory of the Finite Temperature Mott Transition journal May 2000
Mott Transition and Kondo Screening in f -Electron Metals journal August 2005
Sum-Rule Conserving Spectral Functions from the Numerical Renormalization Group journal August 2007
X-symbols for non-Abelian symmetries in tensor networks journal June 2020
Uncovering Non-Fermi-Liquid Behavior in Hund Metals: Conformal Field Theory Analysis of an SU ( 2 ) × SU ( 3 ) Spin-Orbital Kondo Model journal September 2020
Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions journal January 1996
Metal-insulator transitions journal October 1998
Doping a Mott insulator: Physics of high-temperature superconductivity journal January 2006
Electronic structure calculations with dynamical mean-field theory journal August 2006
Numerical renormalization group method for quantum impurity systems journal April 2008
Orbital-selective Kondo lattice and enigmatic f electrons emerging from inside the antiferromagnetic phase of a heavy fermion journal October 2019
Orbital-selective Mott-insulator transition in Ca 2 - x Sr x RuO 4 journal February 2002
Two-orbital systems with crystal field splitting and interorbital hopping journal September 2009
Strong Correlations from Hund’s Coupling journal April 2013

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