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Title: Photoemission and dynamical mean field theory study of electronic correlations in a t52g metal SrRhO3 thin film

Abstract

Perovskite rhodates are characterized by intermediate strengths of both electronic correlation as well as spin-orbit coupling (SOC) and usually behave as moderately correlated metals. A recent publication [Phys. Rev. B 95, 245121 (2017)] on epitaxial SrRhO3 thin films reported a bad-metallic behavior and suggested the occurrence of antiferromagnetism below 100 K. We have further studied this SrRhO3 thin film by hard x-ray photoemission spectroscopy and found a very small density of states (DOS) at the Fermi level (EF), which is consistent with the previously reported bad-metallic behavior. However, the absence of DOS persists up to room temperature, which contradicts the explanation of antiferromagnetic transition at ∼100 K. We also employed electronic structure calculations within the framework of density functional theory and dynamical mean-field theory. In contrast to the photoemission results, our calculations indicate metallic behaviors of both bulk SrRhO3 and the SrRhO3 thin film, and a stronger correlation effect was observed in the thin film than that in the bulk. The calculated uniform magnetic susceptibility is substantially larger in the thin film than that in the bulk. We also investigated the role of SOC and found only a moderate modulation of the band structure. Hence SOC is not expected tomore » significantly affect the electronic correlation in SrRhO3. Extrinsic effects of finite-thickness effects beyond our calculations and localization effects may play important roles to induce the negligible spectral weight at EF.« less

Authors:
 [1];  [2];  [3];  [4];  [5];  [6];  [1];  [7];  [8]; ORCiD logo [9];  [1]
  1. University of Hyogo
  2. Rutgers University
  3. Jozef Sefan Institute
  4. Seoul National University, Korea
  5. Argonne National Laboratory (ANL), Advanced Photon Source (APS)
  6. Argonne National Laboratory
  7. Japan Synchrotron Radiation Research Institute (JASRI)
  8. University of Arkansas
  9. ORNL
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1606787
Alternate Identifier(s):
OSTI ID: 1601697
Grant/Contract Number:  
[AC05-00OR22725; AC02-06CH11357; NSF DMR-1733071]
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
[ Journal Volume: 101; Journal Issue: 8]
Country of Publication:
United States
Language:
English

Citation Formats

Zhang, Yujun, Kim, Minjae, Mravlje, Jernej, Sohn, Changhee, Choi, Yongseong, Strempfer, Joerg, Hotta, Yasushi, Yasui, Akira, Nichols, John, Lee, Ho Nyung, and Wadati, Hiroki. Photoemission and dynamical mean field theory study of electronic correlations in a t52g metal SrRhO3 thin film. United States: N. p., 2020. Web. doi:10.1103/PhysRevB.101.085134.
Zhang, Yujun, Kim, Minjae, Mravlje, Jernej, Sohn, Changhee, Choi, Yongseong, Strempfer, Joerg, Hotta, Yasushi, Yasui, Akira, Nichols, John, Lee, Ho Nyung, & Wadati, Hiroki. Photoemission and dynamical mean field theory study of electronic correlations in a t52g metal SrRhO3 thin film. United States. doi:10.1103/PhysRevB.101.085134.
Zhang, Yujun, Kim, Minjae, Mravlje, Jernej, Sohn, Changhee, Choi, Yongseong, Strempfer, Joerg, Hotta, Yasushi, Yasui, Akira, Nichols, John, Lee, Ho Nyung, and Wadati, Hiroki. Sat . "Photoemission and dynamical mean field theory study of electronic correlations in a t52g metal SrRhO3 thin film". United States. doi:10.1103/PhysRevB.101.085134.
@article{osti_1606787,
title = {Photoemission and dynamical mean field theory study of electronic correlations in a t52g metal SrRhO3 thin film},
author = {Zhang, Yujun and Kim, Minjae and Mravlje, Jernej and Sohn, Changhee and Choi, Yongseong and Strempfer, Joerg and Hotta, Yasushi and Yasui, Akira and Nichols, John and Lee, Ho Nyung and Wadati, Hiroki},
abstractNote = {Perovskite rhodates are characterized by intermediate strengths of both electronic correlation as well as spin-orbit coupling (SOC) and usually behave as moderately correlated metals. A recent publication [Phys. Rev. B 95, 245121 (2017)] on epitaxial SrRhO3 thin films reported a bad-metallic behavior and suggested the occurrence of antiferromagnetism below 100 K. We have further studied this SrRhO3 thin film by hard x-ray photoemission spectroscopy and found a very small density of states (DOS) at the Fermi level (EF), which is consistent with the previously reported bad-metallic behavior. However, the absence of DOS persists up to room temperature, which contradicts the explanation of antiferromagnetic transition at ∼100 K. We also employed electronic structure calculations within the framework of density functional theory and dynamical mean-field theory. In contrast to the photoemission results, our calculations indicate metallic behaviors of both bulk SrRhO3 and the SrRhO3 thin film, and a stronger correlation effect was observed in the thin film than that in the bulk. The calculated uniform magnetic susceptibility is substantially larger in the thin film than that in the bulk. We also investigated the role of SOC and found only a moderate modulation of the band structure. Hence SOC is not expected to significantly affect the electronic correlation in SrRhO3. Extrinsic effects of finite-thickness effects beyond our calculations and localization effects may play important roles to induce the negligible spectral weight at EF.},
doi = {10.1103/PhysRevB.101.085134},
journal = {Physical Review B},
number = [8],
volume = [101],
place = {United States},
year = {2020},
month = {2}
}

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Works referenced in this record:

Superconductivity in a layered perovskite without copper
journal, December 1994

  • Maeno, Y.; Hashimoto, H.; Yoshida, K.
  • Nature, Vol. 372, Issue 6506
  • DOI: 10.1038/372532a0

The superconductivity of Sr 2 RuO 4 and the physics of spin-triplet pairing
journal, May 2003


Magnetic properties of SrRuO 3 Single Crystal
journal, December 1976

  • Kanbayasi, Akio
  • Journal of the Physical Society of Japan, Vol. 41, Issue 6
  • DOI: 10.1143/JPSJ.41.1876

Electric-field-induced metal maintained by current of the Mott insulator Ca2RuO4
journal, August 2013

  • Nakamura, Fumihiko; Sakaki, Mariko; Yamanaka, Yuya
  • Scientific Reports, Vol. 3, Issue 1
  • DOI: 10.1038/srep02536

Current-induced strong diamagnetism in the Mott insulator Ca 2 RuO 4
journal, November 2017


Electronic correlations, magnetism, and Hund's rule coupling in the ruthenium perovskites SrRuO 3 and CaRuO 3
journal, May 2015


Thermal, magnetic, and transport properties of single-crystal Sr 1 x Ca x RuO 3 ( 0 <~ x <~ 1 . 0 )
journal, July 1997


Observation of itinerant ferromagnetism in layered Sr 3 Ru 2 O 7 single crystals
journal, January 1997


Ground state in Sr 3 Ru 2 O 7 : Fermi liquid close to a ferromagnetic instability
journal, September 2000


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

  • Nakatsuji, Satoru; Ikeda, Shin-ichi; Maeno, Yoshiteru
  • Journal of the Physical Society of Japan, Vol. 66, Issue 7
  • DOI: 10.1143/JPSJ.66.1868

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

  • Carlo, J. P.; Goko, T.; Gat-Malureanu, I. M.
  • Nature Materials, Vol. 11, Issue 4
  • DOI: 10.1038/nmat3236

Intrinsic high electrical conductivity of stoichiometric SrNb O 3 epitaxial thin films
journal, November 2015


Photoemission and DMFT study of electronic correlations in SrMoO 3 : Effects of Hund's rule coupling and possible plasmonic sideband
journal, November 2014


High Temperature Magnetic Ordering in the 4 d Perovskite SrTcO 3
journal, February 2011


Enhanced paramagnetism of the 4 d itinerant electrons in the rhodium oxide perovskite SrRhO 3
journal, November 2001


Prospects for quantum criticality in perovskite SrRhO 3
journal, February 2003


Electronic properties of the novel 4d metallic oxide SrRhO3
journal, May 2003


Electronic and magnetic properties of epitaxial SrRh O 3 films
journal, June 2017


Sr 2 RhO 4 : a new, clean correlated electron metal
journal, September 2006


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


Coulomb-Enhanced Spin-Orbit Splitting: The Missing Piece in the Sr 2 RhO 4 Puzzle
journal, July 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, Fermi surface, and spin-orbit coupling effects in Sr 2 RhO 4
journal, March 2019


Crystal structure and electronic and magnetic properties of the bilayered rhodium oxide Sr 3 Rh 2 O 7
journal, October 2002


Manifestation of correlation effects in the photoemission spectra of Ca 1 x Sr x Ru O 3
journal, August 2005


Mutual Experimental and Theoretical Validation of Bulk Photoemission Spectra of S r 1 x C a x V O 3
journal, October 2004


Coherent and incoherent d band dispersions in SrVO 3
journal, December 2009


Spin-Orbit Coupling and Electronic Correlations in Sr 2 RuO 4
journal, March 2018


TRIQS/DFTTools: A TRIQS application for ab initio calculations of correlated materials
journal, July 2016

  • Aichhorn, Markus; Pourovskii, Leonid; Seth, Priyanka
  • Computer Physics Communications, Vol. 204
  • DOI: 10.1016/j.cpc.2016.03.014

TRIQS: A toolbox for research on interacting quantum systems
journal, November 2015

  • Parcollet, Olivier; Ferrero, Michel; Ayral, Thomas
  • Computer Physics Communications, Vol. 196
  • DOI: 10.1016/j.cpc.2015.04.023

TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridisation expansion solver for quantum impurity problems
journal, March 2016


Continuous-time Monte Carlo methods for quantum impurity models
journal, May 2011

  • Gull, Emanuel; Millis, Andrew J.; Lichtenstein, Alexander I.
  • Reviews of Modern Physics, Vol. 83, Issue 2
  • DOI: 10.1103/RevModPhys.83.349

Coherence-Incoherence Crossover and the Mass-Renormalization Puzzles in Sr 2 RuO 4
journal, March 2011


Quantitative electron spectroscopy of surfaces: A standard data base for electron inelastic mean free paths in solids
journal, February 1979


The electronic structure of the CuRh1−xMgxO2 thermoelectric materials: An X-ray photoelectron spectroscopy study
journal, September 2011


PHOTOELECTRON ANGULAR DISTRIBUTION PARAMETERS FOR ELEMENTS Z=1 TO Z=54 IN THE PHOTOELECTRON ENERGY RANGE 100–5000 eV
journal, January 2001

  • Trzhaskovskaya, M. B.; Nefedov, V. I.; Yarzhemsky, V. G.
  • Atomic Data and Nuclear Data Tables, Vol. 77, Issue 1
  • DOI: 10.1006/adnd.2000.0849

Angle-resolved photoemission study of SrTiO 3 (100) and (110) surfaces
journal, March 1996


The temperature dependence of the lattice constant of SrTiO 3 around the 105 K transition
journal, February 1984


Strong Correlations from Hund’s Coupling
journal, April 2013


Mott transition in degenerate Hubbard models: Application to doped fullerenes
journal, October 1996


Metal-insulator transitions in degenerate Hubbard models and A x C 60
journal, February 1994


Surface symmetry-breaking and strain effects on orbital occupancy in transition metal perovskite epitaxial films
journal, January 2012

  • Pesquera, D.; Herranz, G.; Barla, A.
  • Nature Communications, Vol. 3, Issue 1
  • DOI: 10.1038/ncomms2189

Ferromagnetic transition in the correlated 4 d perovskites SrRu 1 x Rh x O 3
journal, January 2004


Hubbard U and Hund exchange J in transition metal oxides: Screening versus localization trends from constrained random phase approximation
journal, October 2012


Transport Properties of Metallic Ruthenates: A DFT + DMFT Investigation
journal, June 2016


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


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


Mott transition, spin-orbit effects, and magnetism in Ca 2 RuO 4
journal, February 2017


Local Probe for Spin-Orbit Interaction
journal, May 1988


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


Spin-orbit coupling in iridium-based 5 d compounds probed by x-ray absorption spectroscopy
journal, November 2012


Controlling entangled spin-orbit coupling of 5 d states with interfacial heterostructure engineering
journal, March 2018


Electronics with Correlated Oxides: SrVO 3 / SrTiO 3 as a Mott Transistor
journal, June 2015


Mott Transition and Suppression of Orbital Fluctuations in Orthorhombic 3 d 1 Perovskites
journal, April 2004


Real-Space Coexistence of the Melted Mott State and Superconductivity in Fe-Substituted 1 T TaS 2
journal, October 2012


Spectral properties of the three-dimensional Hubbard model
journal, June 2011