Sr2Ir1–xRhxO4(x<0.5) : An inhomogeneous jeff=12 Hubbard system

Chikara, Shalinee; Haskel, Daniel; Sim, Jae -Hoon; Kim, Heung -Sik; Chen, Cheng -Chien; Fabbris, G.; Veiga, L. S. I.; Souza-Neto, N. M.; Terzic, J.; Butrouna, K.; Cao, G.; Han, Myung Joon; van Veenendaal, Michel

doi:10.1103/PhysRevB.92.081114

Title: ${Sr}_{2} {Ir}_{1 - x} {Rh}_{x} O_{4} (x < 0.5)$ : An inhomogeneous $j_{eff} = \frac{1}{2}$ Hubbard system

Abstract

In a combined experimental and theoretical study, we investigate the properties of Sr₂Ir_1-xRh_xO₄. Here, from the branching ratios of the L-edge isotropic x-ray absorption spectra, we determine that the spin-orbit coupling is remarkably independent of x for both iridium and rhodium sites. DFT + U calculations show that the doping is close to isoelectronic and introduces impurity bands of predominantly rhodium character close to the lower Hubbard band. Overlap of these two bands leads to metallic behavior. Since the low-energy states for x < 0.5 have predominantly j_eff = 1/2 character, we suggest that the electronic properties of this material can be described by an inhomogeneous Hubbard model, where the on-site energies change due to local variations in the spin-orbit interaction strength combined with additional changes in binding energy.

Authors:

Chikara, Shalinee ^[1]; Haskel, Daniel ^[1]; Sim, Jae -Hoon ^[2]; Kim, Heung -Sik ^[2]; Chen, Cheng -Chien ^[1]; Fabbris, G. ^[3]; Veiga, L. S. I. ^[4]; Souza-Neto, N. M. ^[5]; Terzic, J. ^[6]; Butrouna, K. ^[6]; Cao, G. ^[6]; Han, Myung Joon ^[2]; van Veenendaal, Michel ^[7]

Argonne National Lab. (ANL), Argonne, IL (United States)
Korea Advanced Institute of Science and Technology, Daejeon (Korea)
Argonne National Lab. (ANL), Argonne, IL (United States); Washington Univ., St. Louis, MO (United States)
Argonne National Lab. (ANL), Argonne, IL (United States); Lab. Nacional de Luz Sincrotron (LNLS), Sao Paulo (Brazil); Univ. Estadual de Campinas, Sao Paulo (Brazil)
Lab. Nacionnal de Luz Sincrotron (LNLS), Sao Paulo (Brazil)
Univ. of Kentucky, Lexington, KY (United States)
Argonne National Lab. (ANL), Argonne, IL (United States); Northern Illinois Univ., DeKalb, IL (United States)

Publication Date:: Sat Aug 15 00:00:00 EDT 2015

Research Org.:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22), Scientific User Facilities Division; Materials Sciences and Engineering Division; National Research Foundation of Korea (NRF); USDOE

OSTI Identifier:: 1393967

Alternate Identifier(s):: OSTI ID: 1212491

Grant/Contract Number:: AC02-06CH11357; FG02-03ER46097; AC02-05CH11231

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Volume: 92; Journal Issue: 8; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    Chikara, Shalinee, Haskel, Daniel, Sim, Jae -Hoon, Kim, Heung -Sik, Chen, Cheng -Chien, Fabbris, G., Veiga, L. S. I., Souza-Neto, N. M., Terzic, J., Butrouna, K., Cao, G., Han, Myung Joon, and van Veenendaal, Michel. Sr2Ir1–xRhxO4(x<0.5) : An inhomogeneous jeff=12 Hubbard system.  United States: N. p., 2015. 
Web.  doi:10.1103/PhysRevB.92.081114.

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                    Chikara, Shalinee, Haskel, Daniel, Sim, Jae -Hoon, Kim, Heung -Sik, Chen, Cheng -Chien, Fabbris, G., Veiga, L. S. I., Souza-Neto, N. M., Terzic, J., Butrouna, K., Cao, G., Han, Myung Joon, & van Veenendaal, Michel. Sr2Ir1–xRhxO4(x<0.5) : An inhomogeneous jeff=12 Hubbard system.  United States.  https://doi.org/10.1103/PhysRevB.92.081114

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                    Chikara, Shalinee, Haskel, Daniel, Sim, Jae -Hoon, Kim, Heung -Sik, Chen, Cheng -Chien, Fabbris, G., Veiga, L. S. I., Souza-Neto, N. M., Terzic, J., Butrouna, K., Cao, G., Han, Myung Joon, and van Veenendaal, Michel. Sat .  
"Sr2Ir1–xRhxO4(x<0.5) : An inhomogeneous jeff=12 Hubbard system".  United States.  https://doi.org/10.1103/PhysRevB.92.081114.  https://www.osti.gov/servlets/purl/1393967.

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@article{osti_1393967,

  title        = {Sr2Ir1–xRhxO4(x<0.5) : An inhomogeneous jeff=12 Hubbard system},

  author       = {Chikara, Shalinee and Haskel, Daniel and Sim, Jae -Hoon and Kim, Heung -Sik and Chen, Cheng -Chien and Fabbris, G. and Veiga, L. S. I. and Souza-Neto, N. M. and Terzic, J. and Butrouna, K. and Cao, G. and Han, Myung Joon and van Veenendaal, Michel},

  abstractNote = {In a combined experimental and theoretical study, we investigate the properties of Sr2Ir1-xRhxO4. Here, from the branching ratios of the L-edge isotropic x-ray absorption spectra, we determine that the spin-orbit coupling is remarkably independent of x for both iridium and rhodium sites. DFT + U calculations show that the doping is close to isoelectronic and introduces impurity bands of predominantly rhodium character close to the lower Hubbard band. Overlap of these two bands leads to metallic behavior. Since the low-energy states for x < 0.5 have predominantly jeff = 1/2 character, we suggest that the electronic properties of this material can be described by an inhomogeneous Hubbard model, where the on-site energies change due to local variations in the spin-orbit interaction strength combined with additional changes in binding energy.},

  doi          = {10.1103/PhysRevB.92.081114},

  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  number       = 8,

  volume       = 92,

  place        = {United States},

  year         = {Sat Aug 15 00:00:00 EDT 2015},

  month        = {Sat Aug 15 00:00:00 EDT 2015}

}

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Works referenced in this record:

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Magnetic Excitation Spectra of ${Sr}_{2} {IrO}_{4}$ Probed by Resonant Inelastic X-Ray Scattering: Establishing Links to Cuprate Superconductors
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Works referencing / citing this record:

Preferential quenching of 5 d antiferromagnetic order in Sr ₃ (Ir _{1− x} Mn _x ) ₂ O ₇
journal, April 2019

Schmehr, Julian L.; Zoghlin, Eli; Porter, Zach
Journal of Physics: Condensed Matter, Vol. 31, Issue 24
DOI: 10.1088/1361-648x/ab0ef9

Competition between disorder and Coulomb interaction in a two-dimensional plaquette Hubbard model
journal, June 2016

Lee, Hunpyo; Jeschke, Harald O.; Valentí, Roser
Physical Review B, Vol. 93, Issue 22
DOI: 10.1103/physrevb.93.224203

Charge partitioning and anomalous hole doping in Rh-doped ${Sr}_{2} {IrO}_{4}$
journal, February 2017

Chikara, S.; Fabbris, G.; Terzic, J.
Physical Review B, Vol. 95, Issue 6
DOI: 10.1103/physrevb.95.060407

Competition between disorder and Coulomb interaction in a two-dimensional plaquette Hubbard model
text, January 2016

Lee, Hunpyo; Jeschke, Harald O.; Valenti, Roser
arXiv
DOI: 10.48550/arxiv.1605.08514

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Title: Sr 2 Ir 1 – x Rh x O 4 ( x < 0.5 ) : An inhomogeneous j eff = 1 2 Hubbard system

Abstract

Citation Formats

Local Probe for Spin-Orbit Interaction journal, May 1988

Strong Spin-Orbit Coupling Effects on the Fermi Surface of Sr 2 RuO 4 and Sr 2 RhO 4 journal, July 2008

Spin-orbit tuned metal-insulator transitions in single-crystal Sr 2 Ir 1 − x Rh x O 4 ( 0 ≤ x ≤ 1 ) journal, September 2012

Ordered states in the disordered Hubbard model journal, March 1998

Orbital Magnetism and Spin-Orbit Effects in the Electronic Structure of BaIrO 3 journal, November 2010

Transport Properties and Cationic Substitutions in Sr2IrO4 journal, January 2009

Insight on the electronic state of Sr 2 IrO 4 revealed by cationic substitutions journal, June 2008

Phase-Sensitive Observation of a Spin-Orbital Mott State in Sr2IrO4 journal, March 2009

Novel J eff = 1 / 2 Mott State Induced by Relativistic Spin-Orbit Coupling in Sr 2 IrO 4 journal, August 2008

Reduced Effective Spin-Orbital Degeneracy and Spin-Orbital Ordering in Paramagnetic Transition-Metal Oxides: Sr 2 IrO 4 versus Sr 2 RhO 4 journal, December 2011

Optical Conductivity in Mott-Hubbard Systems journal, July 1995

Dilute magnetism and spin-orbital percolation effects in Sr 2 Ir 1 − x Rh x O 4 journal, February 2014

Magnetic Excitation Spectra of Sr 2 IrO 4 Probed by Resonant Inelastic X-Ray Scattering: Establishing Links to Cuprate Superconductors journal, April 2012

Electron correlations in narrow energy bands III. An improved solution journal, September 1964

Pressure Tuning of the Spin-Orbit Coupled Ground State in Sr 2 IrO 4 journal, July 2012

Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models journal, January 2009

Insulator-metal transition driven by change of doping and spin-orbit interaction in Sr 2 IrO 4 journal, January 2012

Inhomogeneous Metallic Phase in a Disordered Mott Insulator in Two Dimensions journal, September 2004

Optical Conductivity in Mott-Hubbard Systems text, January 1995

Ordered states in the disordered Hubbard model text, January 1998

Preferential quenching of 5 d antiferromagnetic order in Sr 3 (Ir 1− x Mn x ) 2 O 7 journal, April 2019

Competition between disorder and Coulomb interaction in a two-dimensional plaquette Hubbard model journal, June 2016

Charge partitioning and anomalous hole doping in Rh-doped Sr 2 IrO 4 journal, February 2017

Competition between disorder and Coulomb interaction in a two-dimensional plaquette Hubbard model text, January 2016

Title: ${Sr}_{2} {Ir}_{1 - x} {Rh}_{x} O_{4} (x < 0.5)$ : An inhomogeneous $j_{eff} = \frac{1}{2}$ Hubbard system

Local Probe for Spin-Orbit Interaction
journal, May 1988

Strong Spin-Orbit Coupling Effects on the Fermi Surface of ${Sr}_{2} {RuO}_{4}$ and ${Sr}_{2} {RhO}_{4}$
journal, July 2008

Spin-orbit tuned metal-insulator transitions in single-crystal Sr $_{2}$ Ir $_{1 - x}$ Rh $_{x}$ O $_{4}$ ( $0 \leq x \leq 1$ )
journal, September 2012

Ordered states in the disordered Hubbard model
journal, March 1998

Orbital Magnetism and Spin-Orbit Effects in the Electronic Structure of ${BaIrO}_{3}$
journal, November 2010

Transport Properties and Cationic Substitutions in Sr2IrO4
journal, January 2009

Insight on the electronic state of Sr ₂ IrO ₄ revealed by cationic substitutions
journal, June 2008

Phase-Sensitive Observation of a Spin-Orbital Mott State in Sr2IrO4
journal, March 2009

Novel $J_{eff} = 1 / 2$ Mott State Induced by Relativistic Spin-Orbit Coupling in ${Sr}_{2} {IrO}_{4}$
journal, August 2008

Reduced Effective Spin-Orbital Degeneracy and Spin-Orbital Ordering in Paramagnetic Transition-Metal Oxides: ${Sr}_{2} {IrO}_{4}$ versus ${Sr}_{2} {RhO}_{4}$
journal, December 2011

Optical Conductivity in Mott-Hubbard Systems
journal, July 1995

Dilute magnetism and spin-orbital percolation effects in ${Sr}_{2}$ ${Ir}_{1 - x}$ ${Rh}_{x}$ $O_{4}$
journal, February 2014

Magnetic Excitation Spectra of ${Sr}_{2} {IrO}_{4}$ Probed by Resonant Inelastic X-Ray Scattering: Establishing Links to Cuprate Superconductors
journal, April 2012

Electron correlations in narrow energy bands III. An improved solution
journal, September 1964

Pressure Tuning of the Spin-Orbit Coupled Ground State in ${Sr}_{2} {IrO}_{4}$
journal, July 2012

Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models
journal, January 2009

Insulator-metal transition driven by change of doping and spin-orbit interaction in Sr $_{2}$ IrO $_{4}$
journal, January 2012

Inhomogeneous Metallic Phase in a Disordered Mott Insulator in Two Dimensions
journal, September 2004

Optical Conductivity in Mott-Hubbard Systems
text, January 1995

Ordered states in the disordered Hubbard model
text, January 1998

Preferential quenching of 5 d antiferromagnetic order in Sr ₃ (Ir _{1− x} Mn _x ) ₂ O ₇
journal, April 2019

Competition between disorder and Coulomb interaction in a two-dimensional plaquette Hubbard model
journal, June 2016

Charge partitioning and anomalous hole doping in Rh-doped ${Sr}_{2} {IrO}_{4}$
journal, February 2017

Competition between disorder and Coulomb interaction in a two-dimensional plaquette Hubbard model
text, January 2016