Mott transition controlled by lattice-orbital coupling in 3 d -metal-doped double-layer ruthenates

Peng, J.; Gu, M. Q.; Gu, X. M.; Zhou, G. T.; Gao, X. Y.; Liu, J. Y.; Xu, W. F.; Liu, G. Q.; Ke, X.; Zhang, L.; Han, H.; Qu, Z.; Fu, D. W.; Cai, H. L.; Zhang, F. M.; Mao, Z. Q.; Wu, X. S.

doi:10.1103/physrevb.96.205105

Title: Mott transition controlled by lattice-orbital coupling in $3 d$ -metal-doped double-layer ruthenates

Abstract

We have investigated unusual phase transitions that were triggered by chemical doping in Ca₃Ru₂O₇. Our experiments showed that doping with a few percent of Mn (>4%) can change the quasi-two-dimensional metallic state of Ca₃Ru₂O₇ into a Mott insulating state with a G-type antiferromagnetic order, but this Mott state cannot be induced by Fe doping. By combining these results with first-principles calculations, we show that lattice-orbital coupling (LOC) plays an important role in the Mott transition. Interestingly, the transition temperature T_MIT is found to be predetermined by a structural parameter denoted by c/√ab at temperatures far above Néel temperature T_N. This LOC-assisted Mott transition clearly contrasts with the band-filling picture. It is addressed that this type of Mott transition originates in the strong scattering centers formed by specific 3d dopants. The dopant-scattering picture is then applied to explain the puzzling doping effects that occur in other ruthenates and 3d oxides. As a result, our findings will advance the general understanding of how the unusual properties of 4d correlated systems are governed by the complex interplay that occurs among the charge, spin, lattice, and orbital degrees of freedom.

Authors:

Peng, J. ^[1]; Gu, M. Q. ^[2]; Gu, X. M. ^[2]; Zhou, G. T. ^[2]; Gao, X. Y. ^[2]; Liu, J. Y. ^[3]; Xu, W. F. ^[3]; Liu, G. Q. ^[4]; Ke, X. ^[5]; Zhang, L. ^[6]; Han, H. ^[6]; Qu, Z. ^[6]; Fu, D. W. ^[6]; Cai, H. L. ^[2]; Zhang, F. M. ^[2]; Mao, Z. Q. ^[3]; Wu, X. S. ^[2]

Nanjing University (China); Tulane University, New Orleans, LA (United States)
Nanjing University (China)
Tulane University, New Orleans, LA (United States)
Chinese Academy of Sciences, Ningbo (China)
Michigan State University, East Lansing, MI (United States)
Chinese Academy of Sciences, Hefei (China)

Publication Date:: Thu Nov 02 00:00:00 EDT 2017

Research Org.:: Louisiana State Univ., Baton Rouge, LA (United States)

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

OSTI Identifier:: 1670445

Alternate Identifier(s):: OSTI ID: 1406653

Grant/Contract Number:: SC0012432

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 96; Journal Issue: 20; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Antiferromagnetism; Electronic structure; Mott insulators; Ruthenates; Crystal structures; Density functional theory; Neutron diffraction

Citation Formats


                    Peng, J., Gu, M. Q., Gu, X. M., Zhou, G. T., Gao, X. Y., Liu, J. Y., Xu, W. F., Liu, G. Q., Ke, X., Zhang, L., Han, H., Qu, Z., Fu, D. W., Cai, H. L., Zhang, F. M., Mao, Z. Q., and Wu, X. S. Mott transition controlled by lattice-orbital coupling in 3 d -metal-doped double-layer ruthenates.  United States: N. p., 2017. 
Web.  doi:10.1103/physrevb.96.205105.

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                    Peng, J., Gu, M. Q., Gu, X. M., Zhou, G. T., Gao, X. Y., Liu, J. Y., Xu, W. F., Liu, G. Q., Ke, X., Zhang, L., Han, H., Qu, Z., Fu, D. W., Cai, H. L., Zhang, F. M., Mao, Z. Q., & Wu, X. S. Mott transition controlled by lattice-orbital coupling in 3 d -metal-doped double-layer ruthenates.  United States.  https://doi.org/10.1103/physrevb.96.205105

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                    Peng, J., Gu, M. Q., Gu, X. M., Zhou, G. T., Gao, X. Y., Liu, J. Y., Xu, W. F., Liu, G. Q., Ke, X., Zhang, L., Han, H., Qu, Z., Fu, D. W., Cai, H. L., Zhang, F. M., Mao, Z. Q., and Wu, X. S. Thu .  
"Mott transition controlled by lattice-orbital coupling in 3 d -metal-doped double-layer ruthenates".  United States.  https://doi.org/10.1103/physrevb.96.205105.  https://www.osti.gov/servlets/purl/1670445.

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@article{osti_1670445,

  title        = {Mott transition controlled by lattice-orbital coupling in 3 d -metal-doped double-layer ruthenates},

  author       = {Peng, J. and Gu, M. Q. and Gu, X. M. and Zhou, G. T. and Gao, X. Y. and Liu, J. Y. and Xu, W. F. and Liu, G. Q. and Ke, X. and Zhang, L. and Han, H. and Qu, Z. and Fu, D. W. and Cai, H. L. and Zhang, F. M. and Mao, Z. Q. and Wu, X. S.},

  abstractNote = {We have investigated unusual phase transitions that were triggered by chemical doping in Ca3Ru2O7. Our experiments showed that doping with a few percent of Mn (>4%) can change the quasi-two-dimensional metallic state of Ca3Ru2O7 into a Mott insulating state with a G-type antiferromagnetic order, but this Mott state cannot be induced by Fe doping. By combining these results with first-principles calculations, we show that lattice-orbital coupling (LOC) plays an important role in the Mott transition. Interestingly, the transition temperature TMIT is found to be predetermined by a structural parameter denoted by c/√ab at temperatures far above Néel temperature TN. This LOC-assisted Mott transition clearly contrasts with the band-filling picture. It is addressed that this type of Mott transition originates in the strong scattering centers formed by specific 3d dopants. The dopant-scattering picture is then applied to explain the puzzling doping effects that occur in other ruthenates and 3d oxides. As a result, our findings will advance the general understanding of how the unusual properties of 4d correlated systems are governed by the complex interplay that occurs among the charge, spin, lattice, and orbital degrees of freedom.},

  doi          = {10.1103/physrevb.96.205105},

  journal      = {Physical Review B},

  number       = 20,

  volume       = 96,

  place        = {United States},

  year         = {Thu Nov 02 00:00:00 EDT 2017},

  month        = {Thu Nov 02 00:00:00 EDT 2017}

}

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Works referencing / citing this record:

Electron mass enhancement and magnetic phase separation near the Mott transition in double-layer ruthenates
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Title: Mott transition controlled by lattice-orbital coupling in 3 d -metal-doped double-layer ruthenates

Abstract

Citation Formats

Nuclear magnetic resonance study of the enhanced ferromagnetic ordering in polycrystalline SrRu 1− x Cr x O 3 (0 ≤ x ≤ 0.12) journal, February 2005

Magnetic Properties of SrRuO 3 and CaRuO 3 journal, February 1968

Transport, magnetic, thermodynamic, and optical properties in Ti-doped Sr 2 RuO 4 journal, March 2002

Incommensurate Magnetic Ordering in Sr 2 Ru 1 − x Ti x O 4 journal, April 2002

Neutron-Diffraction Measurements of Magnetic Order and a Structural Transition in the Parent BaFe 2 As 2 Compound of FeAs-Based High-Temperature Superconductors journal, December 2008

Ca 2 RuO 4 : New Mott Insulators of Layered Ruthenate journal, July 1997

The compound Sr 3 Ti 2 O 7 and its structure journal, January 1958

Structural and magnetic aspects of the metal-insulator transition in Ca 2 − x Sr x RuO 4 journal, April 2001

Crystal Structure of the Low-Temperature Antiferromagnetic Phase of V 2 O 3 journal, November 1970

From quasi-two-dimensional metal with ferromagnetic bilayers to Mott insulator with G-type antiferromagnetic order in Ca 3 (Ru 1 − x Ti x ) 2 O 7 journal, February 2013

Mn induced ferromagnetism spin fluctuation enhancement in Sr2Ru1−xMnxO4 journal, September 2013

From high temperature superconductivity to quantum spin liquid: progress in strong correlation physics journal, December 2007

Metal-Insulator Transition in ( V 1 − x Cr x ) 2 O 3 journal, November 1970

Observation of Strong Spin Valve Effect in Bulk Ca 3 ( Ru 1 − x Cr x ) 2 O 7 journal, January 2008

Structural instabilities in Nb, Ti and K substituted BaVS3 journal, May 2006

Quasi-two-dimensional metallic ground state of Ca 3 Ru 2 O 7 journal, June 2004

Pressure-induced electronic and magnetic phase transitions in a Mott insulator: Ti-doped C a 3 R u 2 O 7 bilayer ruthenate journal, July 2016

Spin Valve Effect and Magnetoresistivity in Single Crystalline Ca 3 Ru 2 O 7 journal, June 2008

Orbital-dependent phase control in Ca 2 − x Sr x RuO 4 ( 0 <~ x <~ 0 . 5 ) journal, January 2004

Magnetic structural change of Sr 2 IrO 4 upon Mn doping journal, December 2012

Observation of a Metallic Antiferromagnetic Phase and Metal to Nonmetal Transition in Ca 3 Ru 2 O 7 journal, March 1997

Elementary Electronic Structure book, April 2004

The effects of titanium or chromium doping on the crystal structure of V2O3 journal, September 1982

Pairing symmetry in cuprate superconductors journal, October 2000

Magnetic Field-Tuned Quantum Criticality in the Metallic Ruthenate Sr3Ru2O7 journal, October 2001

Emergent electronic and magnetic state in Ca 3 Ru 2 O 7 induced by Ti doping journal, November 2011

Angle-resolved photoemission studies of the cuprate superconductors journal, April 2003

Change of Electronic Structure in C a 2 R u O 4 Induced by Orbital Ordering journal, July 2003

Colossal magnetoresistant materials: the key role of phase separation journal, April 2001

Nested Fermi Surface and Electronic Instability in Ca 3 Ru 2 O 7 journal, March 2006

Mott transition and magnetic anisotropy in Ca 3 Ru 2 O 7 journal, December 2011

Structure-property coupling in Sr 3 (Ru 1 − x Mn x ) 2 O 7 journal, November 2011

Highly anisotropic magnetism in Cr-doped perovskite ruthenates journal, June 2006

Substitution at the Ru site in the itinerant ferromagnet SrRuO3 journal, July 2002

New magnetic phase diagram of (Sr,Ca)2RuO4 journal, February 2012

Strain-Induced Bond Buckling and Its Role in Insulating Properties of Cr-Doped V 2 O 3 journal, November 2006

Metal-insulator transitions journal, October 1998

Single-bilayer E -type antiferromagnetism in Mn-substituted Sr 3 Ru 2 O 7 : Neutron scattering study journal, May 2012

Heavy d-electron quasiparticle interference and real-space electronic structure of Sr3Ru2O7 journal, September 2009

STM studies of individual Ti impurity atoms in Sr2RuO4 journal, May 2003

Metal-Insulator Transitions in Pure and Doped V 2 O 3 journal, March 1973

Crystal and magnetic structure of Ca 3 Ru 2 O 7 journal, August 2005

The physics of manganites: Structure and transport journal, August 2001

Superconductivity in a layered perovskite without copper journal, December 1994

Electronic excitations in the correlated metal BaV 0.98 Ti 0.02 S 3 studied using resonant inelastic soft x-ray scattering journal, December 2009

Spin-triplet superconductivity in Sr2RuO4 identified by 17O Knight shift journal, December 1998

Mixed-valence manganites journal, March 1999

Heavy-Mass Fermi Liquid near a Ferromagnetic Instability in Layered Ruthenates journal, April 2003

Colossal Magnetoresistance in a Mott Insulator via Magnetic Field-Driven Insulator-Metal Transition journal, May 2016

Colossal magnetoresistive manganites journal, October 1999

First-order magnetic and structural phase transitions in Fe 1 + y Se x Te 1 − x journal, February 2009

Commensurate-incommensurate magnetic phase transition in the Fe-doped bilayer ruthenate Ca 3 Ru 2 O 7 journal, June 2014

Competition Between Antiferromagnetism and Ferromagnetism in Sr2RuO4 Probed by Mn and Co Doping journal, October 2013

Simultaneous Structural, Magnetic, and Electronic Transitions in La 1 − x Ca x Mn O 3 with x = 0.25 and 0.50 journal, December 1995

Impurity-induced transition to a Mott insulator in Sr 3 Ru 2 O 7 journal, September 2005

Incommensurate magnetic ordering in Ti-doped Sr 3 Ru 2 O 7 journal, February 2009

Electron mass enhancement and magnetic phase separation near the Mott transition in double-layer ruthenates journal, August 2018

A high-temperature multiaxial precision time-delayed dielectric switch crystal triggered by linear/propeller/ball three-form motion journal, January 2019

Title: Mott transition controlled by lattice-orbital coupling in $3 d$ -metal-doped double-layer ruthenates

Nuclear magnetic resonance study of the enhanced ferromagnetic ordering in polycrystalline SrRu _{1− x} Cr _x O ₃ (0 ≤ x ≤ 0.12)
journal, February 2005

Magnetic Properties of SrRuO ₃ and CaRuO ₃
journal, February 1968

Transport, magnetic, thermodynamic, and optical properties in Ti-doped ${Sr}_{2} {RuO}_{4}$
journal, March 2002

Incommensurate Magnetic Ordering in ${Sr}_{2} {Ru}_{1 - x} {Ti}_{x} O_{4}$
journal, April 2002

Neutron-Diffraction Measurements of Magnetic Order and a Structural Transition in the Parent ${BaFe}_{2} {As}_{2}$ Compound of FeAs-Based High-Temperature Superconductors
journal, December 2008

Ca ₂ RuO ₄ : New Mott Insulators of Layered Ruthenate
journal, July 1997

The compound Sr ₃ Ti ₂ O ₇ and its structure
journal, January 1958

Structural and magnetic aspects of the metal-insulator transition in ${Ca}_{2 - x} {Sr}_{x} {RuO}_{4}$
journal, April 2001

Crystal Structure of the Low-Temperature Antiferromagnetic Phase of $V_{2}$ $O_{3}$
journal, November 1970

From quasi-two-dimensional metal with ferromagnetic bilayers to Mott insulator with G-type antiferromagnetic order in Ca $_{3}$ (Ru $_{1 - x}$ Ti $_{x}$ ) $_{2}$ O $_{7}$
journal, February 2013

Mn induced ferromagnetism spin fluctuation enhancement in Sr2Ru1−xMnxO4
journal, September 2013

From high temperature superconductivity to quantum spin liquid: progress in strong correlation physics
journal, December 2007

Metal-Insulator Transition in ${(V_{1 - x} {Cr}_{x})}_{2} O_{3}$
journal, November 1970

Observation of Strong Spin Valve Effect in Bulk ${Ca}_{3} ({Ru}_{1 - x} {Cr}_{x})_{2} O_{7}$
journal, January 2008

Structural instabilities in Nb, Ti and K substituted BaVS3
journal, May 2006

Quasi-two-dimensional metallic ground state of ${Ca}_{3} {Ru}_{2} O_{7}$
journal, June 2004

Pressure-induced electronic and magnetic phase transitions in a Mott insulator: Ti-doped $C a_{3} R u_{2} O_{7}$ bilayer ruthenate
journal, July 2016

Spin Valve Effect and Magnetoresistivity in Single Crystalline ${Ca}_{3} {Ru}_{2} O_{7}$
journal, June 2008

Orbital-dependent phase control in ${Ca}_{2 - x} {Sr}_{x} {RuO}_{4}$ $(0 <~ x <~ 0.5)$
journal, January 2004

Magnetic structural change of Sr $_{2}$ IrO $_{4}$ upon Mn doping
journal, December 2012

Observation of a Metallic Antiferromagnetic Phase and Metal to Nonmetal Transition in ${Ca}_{3} {Ru}_{2} O_{7}$
journal, March 1997

Elementary Electronic Structure
book, April 2004

The effects of titanium or chromium doping on the crystal structure of V2O3
journal, September 1982

Pairing symmetry in cuprate superconductors
journal, October 2000

Magnetic Field-Tuned Quantum Criticality in the Metallic Ruthenate Sr3Ru2O7
journal, October 2001

Emergent electronic and magnetic state in Ca $_{3}$ Ru $_{2}$ O $_{7}$ induced by Ti doping
journal, November 2011

Angle-resolved photoemission studies of the cuprate superconductors
journal, April 2003

Change of Electronic Structure in ${C a}_{2} {R u O}_{4}$ Induced by Orbital Ordering
journal, July 2003

Colossal magnetoresistant materials: the key role of phase separation
journal, April 2001

Nested Fermi Surface and Electronic Instability in ${Ca}_{3} {Ru}_{2} O_{7}$
journal, March 2006

Mott transition and magnetic anisotropy in Ca $_{3}$ Ru $_{2}$ O $_{7}$
journal, December 2011

Structure-property coupling in Sr $_{3}$ (Ru $_{1 - x}$ Mn $_{x}$ ) $_{2}$ O $_{7}$
journal, November 2011

Highly anisotropic magnetism in Cr-doped perovskite ruthenates
journal, June 2006

Substitution at the Ru site in the itinerant ferromagnet SrRuO3
journal, July 2002

New magnetic phase diagram of (Sr,Ca)2RuO4
journal, February 2012

Strain-Induced Bond Buckling and Its Role in Insulating Properties of Cr-Doped $V_{2} O_{3}$
journal, November 2006

Metal-insulator transitions
journal, October 1998

Single-bilayer $E$ -type antiferromagnetism in Mn-substituted Sr $_{3}$ Ru $_{2}$ O $_{7}$ : Neutron scattering study
journal, May 2012

Heavy d-electron quasiparticle interference and real-space electronic structure of Sr3Ru2O7
journal, September 2009

STM studies of individual Ti impurity atoms in Sr2RuO4
journal, May 2003

Metal-Insulator Transitions in Pure and Doped $V_{2}$ $O_{3}$
journal, March 1973

Crystal and magnetic structure of ${Ca}_{3} {Ru}_{2} O_{7}$
journal, August 2005

The physics of manganites: Structure and transport
journal, August 2001

Superconductivity in a layered perovskite without copper
journal, December 1994

Electronic excitations in the correlated metal BaV _0.98 Ti _0.02 S ₃ studied using resonant inelastic soft x-ray scattering
journal, December 2009

Spin-triplet superconductivity in Sr2RuO4 identified by 17O Knight shift
journal, December 1998

Mixed-valence manganites
journal, March 1999

Heavy-Mass Fermi Liquid near a Ferromagnetic Instability in Layered Ruthenates
journal, April 2003

Colossal Magnetoresistance in a Mott Insulator via Magnetic Field-Driven Insulator-Metal Transition
journal, May 2016

Colossal magnetoresistive manganites
journal, October 1999

First-order magnetic and structural phase transitions in ${Fe}_{1 + y} {Se}_{x} {Te}_{1 - x}$
journal, February 2009

Commensurate-incommensurate magnetic phase transition in the Fe-doped bilayer ruthenate ${Ca}_{3} {Ru}_{2} O_{7}$
journal, June 2014

Competition Between Antiferromagnetism and Ferromagnetism in Sr2RuO4 Probed by Mn and Co Doping
journal, October 2013

Simultaneous Structural, Magnetic, and Electronic Transitions in ${La}_{1 - x} {Ca}_{x} Mn O_{3}$ with $x = 0.25 and 0.50$
journal, December 1995

Impurity-induced transition to a Mott insulator in ${Sr}_{3} {Ru}_{2} O_{7}$
journal, September 2005

Incommensurate magnetic ordering in Ti-doped ${Sr}_{3} {Ru}_{2} O_{7}$
journal, February 2009

Electron mass enhancement and magnetic phase separation near the Mott transition in double-layer ruthenates
journal, August 2018

A high-temperature multiaxial precision time-delayed dielectric switch crystal triggered by linear/propeller/ball three-form motion
journal, January 2019