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Title: Verwey-Type Charge Ordering and Site-Selective Mott Transition in Fe[subscript 4]O[subscript 5] unde

Journal Article · · J. Am. Chem. Soc.
DOI:https://doi.org/10.1021/jacs.2c00895· OSTI ID:1900767

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Organization:
DOE - Office Of Science; FOREIGN
OSTI ID:
1900767
Journal Information:
J. Am. Chem. Soc., Vol. 144, Issue (23)
Country of Publication:
United States
Language:
ENGLISH

References (82)

Metal-insulator transitions journal October 1998
Orbital Physics in Transition-Metal Oxides journal April 2000
Complexity in Strongly Correlated Electronic Systems journal July 2005
Discovery of the recoverable high-pressure iron oxide Fe4O5 journal October 2011
In situ observation of the breakdown of magnetite (Fe3O4) to Fe4O5 and hematite at high pressures and temperatures journal September 2012
Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation journal April 2016
Pressure tuning of charge ordering in iron oxide journal October 2018
Unraveling the complexity of iron oxides at high pressure and temperature: Synthesis of Fe5O6 journal June 2015
The stability of Fe5O6 and Fe4O5 at high pressure and temperature journal September 2019
A Room‐Temperature Verwey‐type Transition in Iron Oxide, Fe 5 O 6 journal January 2020
Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure journal September 2016
Structural complexity of simple Fe2O3 at high pressures and temperatures journal February 2016
FeO2 and FeOOH under deep lower-mantle conditions and Earth’s oxygen–hydrogen cycles journal June 2016
Altered chemistry of oxygen and iron under deep Earth conditions journal January 2019
Unexpected 3+ valence of iron in FeO2, a geologically important material lying “in between” oxides and peroxides journal October 2017
Hydrogenation-driven formation of local magnetic moments in FeO 2 H x journal October 2018
Influence of Molecular Orbitals on Magnetic Properties of FeO2Hx journal May 2020
Electronic spin transition in FeO 2 : Evidence for Fe(II) with peroxide O 2 2 journal July 2019
Revealing the Complex Nature of Bonding in the Binary High-Pressure Compound FeO 2 journal March 2021
Pressure-Induced Site-Selective Mott Insulator-Metal Transition in Fe 2 O 3 journal September 2018
Charge disproportionation and site-selective local magnetic moments in the post-perovskite-type Fe2O3 under ultra-high pressures journal September 2019
High-pressure magnetic, electronic, and structural properties of M F e 2 O 4 ( M = Mg , Zn , Fe ) ferric spinels journal May 2017
Mössbauer and resistivity studies of the magnetic and electronic properties of the high-pressure phase of Fe 3 O 4 journal November 2004
Electronic Conduction of Magnetite (Fe3O4) and its Transition Point at Low Temperatures journal August 1939
The Verwey transition - a topical review journal March 2002
Long Range Charge Ordering in Magnetite Below the Verwey Transition journal December 2001
Charge ordered structure of magnetite Fe 3 O 4 below the Verwey transition journal December 2002
Charge order and three-site distortions in the Verwey structure of magnetite journal December 2011
Co-emergence of magnetic order and structural fluctuations in magnetite journal June 2019
Nature of the Verwey transition in magnetite ( Fe 3 O 4 ) to pressures of 16 GPa journal March 1996
Origin of the Verwey Transition in Magnetite journal February 2006
Charge and Orbital Order in F e 3 O 4 journal September 2004
Charge order inFe2OBO3: AnLSDA+Ustudy journal July 2005
Electronic structure of charge-ordered Fe 3 O 4 from calculated optical, magneto-optical Kerr effect, and O K -edge x-ray absorption spectra journal October 2006
Mechanism of the Verwey Transition in Magnetite journal October 2006
Anharmonicity due to Electron-Phonon Coupling in Magnetite journal May 2013
Trimeron-phonon coupling in magnetite journal March 2021
Charge-Orbital Ordering and Verwey Transition in Magnetite journal October 2004
Resonant X-Ray Diffraction Studies on the Charge Ordering in Magnetite journal August 2006
Direct Observation of t 2 g Orbital Ordering in Magnetite journal January 2008
Time-resolved resonant soft x-ray diffraction with free-electron lasers: Femtosecond dynamics across the Verwey transition in magnetite journal May 2011
Speed limit of the insulator–metal transition in magnetite journal July 2013
Discovery of the soft electronic modes of the trimeron order in magnetite journal March 2020
Abnormal Elastic and Vibrational Behaviors of Magnetite at High Pressures journal September 2014
Revisiting the Phase Transition of Magnetite under Pressure journal July 2019
Long range electronic phase separation in CaFe3O5 journal July 2018
Single phase charge ordered stoichiometric CaFe3O5 with commensurate and incommensurate trimeron ordering journal December 2019
Evidence for the charge disproportionation of iron in extraterrestrial bridgmanite journal January 2020
Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions journal January 1996
Electronic structure calculations with dynamical mean-field theory journal August 2006
Metal-insulator transition and local-moment collapse in FeO under pressure journal August 2015
Magnetic collapse and the behavior of transition metal oxides at high pressure journal October 2016
Emergence of quantum critical charge and spin-state fluctuations near the pressure-induced Mott transition in MnO, FeO, CoO, and NiO journal June 2020
Electronic correlations at paramagnetic (001) and (110) NiO surfaces: Charge-transfer and Mott-Hubbard-type gaps at the surface and subsurface of (110) NiO journal April 2021
Metal-insulator transition and local-moment collapse in negative charge transfer CaFeO 3 under pressure journal January 2022
Self-consistency over the charge density in dynamical mean-field theory: A linear muffin-tin implementation and some physical implications journal December 2007
Quantum Monte Carlo impurity solver for cluster dynamical mean-field theory and electronic structure calculations with adjustable cluster base journal April 2007
Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals journal May 2008
Dynamical mean-field theory within an augmented plane-wave framework: Assessing electronic correlations in the iron pnictide LaFeAsO journal August 2009
A self-consistent DFT + DMFT scheme in the projector augmented wave method: applications to cerium, Ce 2 O 3 and Pu 2 O 3 with the Hubbard I solver and comparison to DFT + U journal February 2012
A new large-volume multianvil system journal June 2004
Full orbital calculation scheme for materials with strongly correlated electrons journal March 2005
LDA+DMFT implemented with the pseudopotential plane-wave approach journal March 2008
Continuous-time Monte Carlo methods for quantum impurity models journal May 2011
Generalized Gradient Approximation Made Simple journal October 1996
Systematic study of insulator-metal transitions in perovskites RNiO3 (R=Pr,Nd,Sm,Eu) due to closing of charge-transfer gap journal April 1992
Neutron-diffraction study of R NiO 3 ( R =La,Pr,Nd,Sm): Electronically induced structural changes across the metal-insulator transition journal August 1992
Equation of state and phase diagram of FeO journal April 2011
Equation of state of magnetite and its high-pressure modification: Thermodynamics of the Fe-O system at high pressure journal March 2000
Bond-valence parameters for solids journal April 1991
Charge-gap formation upon the Verwey transition in Fe 3 O 4 journal August 1998
High-energy photoemission on Fe 3 O 4 : Small polaron physics and the Verwey transition journal June 2005
Site-Selective Mott Transition in Rare-Earth-Element Nickelates journal October 2012
Total energy calculations using DFT+DMFT: Computing the pressure phase diagram of the rare earth nickelates journal June 2014
Oxygen vacancy induced site-selective Mott transition in LaNiO 3 journal February 2021
Spin and charge ordering in self-doped Mott insulators journal May 2000
Rare-earth nickelates R NiO 3 : thin films and heterostructures journal February 2018
Fe3+ spin transition in CaFe2O4 at high pressure journal December 2009
Site-specific spin crossover in F e 2 Ti O 4 post-spinel under high pressure up to nearly a megabar journal July 2017
Consequences of pressure-instigated spin crossover in R FeO 3 perovskites; a volume collapse with no symmetry modification journal July 2005
Metallization of magnetite at high pressures journal March 2002
Verwey transition in Fe 3 O 4 at high pressure: Quantum critical point at the onset of metallization journal September 2008