Spin-orbit driven magnetic insulating state with Jeff=1/2 character in a 4d oxide

Calder, S.; Li, Ling; Okamoto, Satoshi; Choi, Yongseong; Mukherjee, Rupam; Haskel, Daniel; Mandrus, D.

doi:10.1103/PhysRevB.92.180413

Title: Spin-orbit driven magnetic insulating state with J_eff=1/2 character in a 4d oxide

Abstract

The unusual magnetic and electronic ground states of 5d iridates have been shown to be driven by intrinsically enhanced spin-orbit coupling (SOC). The influence of appreciable but reduced SOC in creating the manifested magnetic insulating states in 4d oxides is less clear, with one hurdle being the existence of such compounds. Here, we present experimental and theoretical results on Sr4RhO6 that reveal SOC dominated behavior. Neutron measurements show the octahedra are both spatially separated and locally ideal, making the electronic ground state susceptible to alterations by SOC. Magnetic ordering is observed with a similar structure to an analogous Jeff=12 Mott iridate. We consider the underlying role of SOC in this rhodate with density functional theory and x-ray absorption spectroscopy, and find a magnetic insulating ground state with Jeff=12 character.

Authors:

Calder, S. ^[1]; Li, Ling ^[2]; Okamoto, Satoshi ^[1]; Choi, Yongseong ^[3]; Mukherjee, Rupam ^[2]; Haskel, Daniel ^[3]; Mandrus, D. ^[4]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of Tennessee, Knoxville, TN (United States)
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Publication Date:: Mon Nov 30 00:00:00 EST 2015

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). High Flux Isotope Reactor (HFIR); Argonne National Laboratory (ANL), Argonne, IL (United States)

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

OSTI Identifier:: 1234346

Alternate Identifier(s):: OSTI ID: 1227529; OSTI ID: 1245142; OSTI ID: 1486921

Grant/Contract Number:: AC05-00OR22725; AC02-06CH11357

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 92; Journal Issue: 18; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    Calder, S., Li, Ling, Okamoto, Satoshi, Choi, Yongseong, Mukherjee, Rupam, Haskel, Daniel, and Mandrus, D. Spin-orbit driven magnetic insulating state with Jeff=1/2 character in a 4d oxide.  United States: N. p., 2015. 
Web.  doi:10.1103/PhysRevB.92.180413.

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                    Calder, S., Li, Ling, Okamoto, Satoshi, Choi, Yongseong, Mukherjee, Rupam, Haskel, Daniel, & Mandrus, D. Spin-orbit driven magnetic insulating state with Jeff=1/2 character in a 4d oxide.  United States.  https://doi.org/10.1103/PhysRevB.92.180413

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                    Calder, S., Li, Ling, Okamoto, Satoshi, Choi, Yongseong, Mukherjee, Rupam, Haskel, Daniel, and Mandrus, D. Mon .  
"Spin-orbit driven magnetic insulating state with Jeff=1/2 character in a 4d oxide".  United States.  https://doi.org/10.1103/PhysRevB.92.180413.  https://www.osti.gov/servlets/purl/1234346.

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@article{osti_1234346,

  title        = {Spin-orbit driven magnetic insulating state with Jeff=1/2 character in a 4d oxide},

  author       = {Calder, S. and Li, Ling and Okamoto, Satoshi and Choi, Yongseong and Mukherjee, Rupam and Haskel, Daniel and Mandrus, D.},

  abstractNote = {The unusual magnetic and electronic ground states of 5d iridates have been shown to be driven by intrinsically enhanced spin-orbit coupling (SOC). The influence of appreciable but reduced SOC in creating the manifested magnetic insulating states in 4d oxides is less clear, with one hurdle being the existence of such compounds. Here, we present experimental and theoretical results on Sr4RhO6 that reveal SOC dominated behavior. Neutron measurements show the octahedra are both spatially separated and locally ideal, making the electronic ground state susceptible to alterations by SOC. Magnetic ordering is observed with a similar structure to an analogous Jeff=12 Mott iridate. We consider the underlying role of SOC in this rhodate with density functional theory and x-ray absorption spectroscopy, and find a magnetic insulating ground state with Jeff=12 character.},

  doi          = {10.1103/PhysRevB.92.180413},

  journal      = {Physical Review B},

  number       = 18,

  volume       = 92,

  place        = {United States},

  year         = {Mon Nov 30 00:00:00 EST 2015},

  month        = {Mon Nov 30 00:00:00 EST 2015}

}

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Cited by: 10 works

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Figures / Tables:

FIG. 1: Neutron powder diffraction measurements of the crystal structure of Sr₄RhO₆. The green tick marks correspond to Sr₄RhO₆, a small impurity phase of SrO and the Al sample can from top down, respectively. The bond angles and distances are shown between the O (red) and Rh (blue) ions inmore »

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Title: Spin-orbit driven magnetic insulating state with Jeff=1/2 character in a 4d oxide

Abstract

Citation Formats

Figures / Tables:

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

J eff = 1 2 Mott spin-orbit insulating state close to the cubic limit in Ca 4 IrO 6 journal, February 2014

Projector augmented-wave method journal, December 1994

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

Coulomb-Enhanced Spin-Orbit Splitting: The Missing Piece in the Sr 2 RhO 4 Puzzle journal, July 2008

Correlated Quantum Phenomena in the Strong Spin-Orbit Regime journal, March 2014

Mott physics and band topology in materials with strong spin–orbit interaction journal, March 2010

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

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

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Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators journal, August 1995

A new protocol for the determination of magnetic structures using simulated annealing and representational analysis (SARAh) journal, March 2000

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

α − RuCl 3 : A spin-orbit assisted Mott insulator on a honeycomb lattice journal, July 2014

J eff = 1 / 2 Mott-Insulating State in Rh and Ir Fluorides journal, March 2015

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

Fermi arcs in a doped pseudospin-1/2 Heisenberg antiferromagnet journal, June 2014

The crystal structure of Sr4PtO6 and two related compounds journal, July 1959

Electronic Structure of Low-Dimensional 4d 5 Oxides: Interplay of Ligand Distortions, Overall Lattice Anisotropy, and Spin–Orbit Interactions journal, April 2014

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

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Li 2 RhO 3 : A spin-glassy relativistic Mott insulator journal, April 2013

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Title: Spin-orbit driven magnetic insulating state with J_eff=1/2 character in a 4d oxide

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

$J_{eff} = \frac{1}{2}$ Mott spin-orbit insulating state close to the cubic limit in ${Ca}_{4}$ ${IrO}_{6}$
journal, February 2014

Projector augmented-wave method
journal, December 1994

Novel $J_{eff} = 1 / 2$ Mott State Induced by Relativistic Spin-Orbit Coupling in ${Sr}_{2} {IrO}_{4}$
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Coulomb-Enhanced Spin-Orbit Splitting: The Missing Piece in the ${Sr}_{2} {RhO}_{4}$ Puzzle
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Correlated Quantum Phenomena in the Strong Spin-Orbit Regime
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Mott physics and band topology in materials with strong spin–orbit interaction
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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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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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