Photoemission and dynamical mean field theory study of electronic correlations in a metal thin film
Abstract
Perovskite rhodates are characterized by intermediate strengths of both electronic correlation as well as spinorbit 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 (E-F), 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 similar to 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 notmore »
- Authors:
-
[1];
[4];
- Chinese Academy of Sciences (CAS), Beijing (China). Inst. of High Energy Physics (IHEP); Univ. of Hyogo (Japan); Univ. of Tokyo (Japan)
- Rutgers Univ., Piscataway, NJ (United States); Collège de France, Paris (France)
- Jozef Stefan Inst. (IJS), Ljubljana (Slovenia)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Univ. of Hyogo (Japan)
- Japan Synchrotron Radiation Research Inst. (JASRI), Hyogo (Japan)
- Univ. of Arkansas, Little Rock, AR (United States)
- Univ. of Hyogo (Japan); Univ. of Tokyo (Japan)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Sponsoring Org.:
- Japan Society for the Promotion of Science (JSPS); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; National Science Foundation (NSF); Slovenian Research Agency (ARRS); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
- OSTI Identifier:
- 1606787
- Alternate Identifier(s):
- OSTI ID: 1601697; OSTI ID: 1632827
- Grant/Contract Number:
- AC05-00OR22725; 17F17327; AC02-06CH11357; NSF DMR-1733071
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 101; Journal Issue: 8; 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; 36 MATERIALS SCIENCE
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 t2g5 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 t2g5 metal SrRhO3 thin film. United States. https://doi.org/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. Mon .
"Photoemission and dynamical mean field theory study of electronic correlations in a t2g5 metal SrRhO3 thin film". United States. https://doi.org/10.1103/PhysRevB.101.085134. https://www.osti.gov/servlets/purl/1606787.
@article{osti_1606787,
title = {Photoemission and dynamical mean field theory study of electronic correlations in a t2g5 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 spinorbit 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 (E-F), 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 similar to 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 E-F.},
doi = {10.1103/PhysRevB.101.085134},
journal = {Physical Review B},
number = 8,
volume = 101,
place = {United States},
year = {Mon Feb 24 00:00:00 EST 2020},
month = {Mon Feb 24 00:00:00 EST 2020}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 1 work
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Strong Spin-Orbit Coupling Effects on the Fermi Surface of and
journal, July 2008
- Haverkort, M. W.; Elfimov, I. S.; Tjeng, L. H.
- Physical Review Letters, Vol. 101, Issue 2
Spectral properties of the three-dimensional Hubbard model
journal, June 2011
- Fuchs, Sebastian; Gull, Emanuel; Troyer, Matthias
- Physical Review B, Vol. 83, Issue 23
The electronic structure of the CuRh1−xMgxO2 thermoelectric materials: An X-ray photoelectron spectroscopy study
journal, September 2011
- Le, T. K.; Flahaut, D.; Martinez, H.
- Journal of Solid State Chemistry, Vol. 184, Issue 9
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
Coulomb-Enhanced Spin-Orbit Splitting: The Missing Piece in the Puzzle
journal, July 2008
- Liu, Guo-Qiang; Antonov, V. N.; Jepsen, O.
- Physical Review Letters, Vol. 101, Issue 2
Spin-orbit coupling in iridium-based 5 compounds probed by x-ray absorption spectroscopy
journal, November 2012
- Clancy, J. P.; Chen, N.; Kim, C. Y.
- Physical Review B, Vol. 86, Issue 19
Current-induced strong diamagnetism in the Mott insulator Ca 2 RuO 4
journal, November 2017
- Sow, Chanchal; Yonezawa, Shingo; Kitamura, Sota
- Science, Vol. 358, Issue 6366
Mott Transition and Suppression of Orbital Fluctuations in Orthorhombic Perovskites
journal, April 2004
- Pavarini, E.; Biermann, S.; Poteryaev, A.
- Physical Review Letters, Vol. 92, Issue 17
Ferromagnetic transition in the correlated perovskites
journal, January 2004
- Yamaura, K.; Young, D. P.; Takayama-Muromachi, E.
- Physical Review B, Vol. 69, Issue 2
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
Observation of itinerant ferromagnetism in layered single crystals
journal, January 1997
- Cao, G.; McCall, S.; Crow, J. E.
- Physical Review B, Vol. 55, Issue 2
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
Local Probe for Spin-Orbit Interaction
journal, May 1988
- van der Laan, G.; Thole, B. T.
- Physical Review Letters, Vol. 60, Issue 19
TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridisation expansion solver for quantum impurity problems
journal, March 2016
- Seth, Priyanka; Krivenko, Igor; Ferrero, Michel
- Computer Physics Communications, Vol. 200
Metal-insulator transitions in degenerate Hubbard models and
journal, February 1994
- Lu, Jian Ping
- Physical Review B, Vol. 49, Issue 8
Controlling entangled spin-orbit coupling of states with interfacial heterostructure engineering
journal, March 2018
- Kim, J. -W.; Choi, Y.; Chun, S. H.
- Physical Review B, Vol. 97, Issue 9
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
Orbital-dependent phase control in
journal, January 2004
- Fang, Zhong; Nagaosa, Naoto; Terakura, Kiyoyuki
- Physical Review B, Vol. 69, Issue 4
Reduced Effective Spin-Orbital Degeneracy and Spin-Orbital Ordering in Paramagnetic Transition-Metal Oxides: versus
journal, December 2011
- Martins, Cyril; Aichhorn, Markus; Vaugier, Loïg
- Physical Review Letters, Vol. 107, Issue 26
Electronics with Correlated Oxides: as a Mott Transistor
journal, June 2015
- Zhong, Zhicheng; Wallerberger, Markus; Tomczak, Jan M.
- Physical Review Letters, Vol. 114, Issue 24
Hubbard and Hund exchange in transition metal oxides: Screening versus localization trends from constrained random phase approximation
journal, October 2012
- Vaugier, Loïg; Jiang, Hong; Biermann, Silke
- Physical Review B, Vol. 86, Issue 16
Prospects for quantum criticality in perovskite
journal, February 2003
- Singh, D. J.
- Physical Review B, Vol. 67, Issue 5
Transport Properties of Metallic Ruthenates: A Investigation
journal, June 2016
- Deng, Xiaoyu; Haule, Kristjan; Kotliar, Gabriel
- Physical Review Letters, Vol. 116, Issue 25
High Temperature Magnetic Ordering in the Perovskite
journal, February 2011
- Rodriguez, Efrain E.; Poineau, Frédéric; Llobet, Anna
- Physical Review Letters, Vol. 106, Issue 6
High-Resolution Photoemission on Reveals Correlation-Enhanced Effective Spin-Orbit Coupling and Dominantly Local Self-Energies
journal, June 2019
- Tamai, A.; Zingl, M.; Rozbicki, E.
- Physical Review X, Vol. 9, Issue 2
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
Quantitative electron spectroscopy of surfaces: A standard data base for electron inelastic mean free paths in solids
journal, February 1979
- Seah, M. P.; Dench, W. A.
- Surface and Interface Analysis, Vol. 1, Issue 1
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
Crystal structure and electronic and magnetic properties of the bilayered rhodium oxide
journal, October 2002
- Yamaura, K.; Huang, Q.; Young, D. P.
- Physical Review B, Vol. 66, Issue 13
Novel Mott State Induced by Relativistic Spin-Orbit Coupling in
journal, August 2008
- Kim, B. J.; Jin, Hosub; Moon, S. J.
- Physical Review Letters, Vol. 101, Issue 7
Optical conductivity, Fermi surface, and spin-orbit coupling effects in
journal, March 2019
- Zhang, Guoren; Pavarini, Eva
- Physical Review B, Vol. 99, Issue 12
Electronic properties of the novel 4d metallic oxide SrRhO3
journal, May 2003
- Yamaura, K.
- Physica B: Condensed Matter, Vol. 329-333
Ground state in Fermi liquid close to a ferromagnetic instability
journal, September 2000
- Ikeda, Shin-Ichi; Maeno, Yoshiteru; Nakatsuji, Satoru
- Physical Review B, Vol. 62, Issue 10
Photoemission and DMFT study of electronic correlations in : Effects of Hund's rule coupling and possible plasmonic sideband
journal, November 2014
- Wadati, H.; Mravlje, J.; Yoshimatsu, K.
- Physical Review B, Vol. 90, Issue 20
TRIQS: A toolbox for research on interacting quantum systems
journal, November 2015
- Parcollet, Olivier; Ferrero, Michel; Ayral, Thomas
- Computer Physics Communications, Vol. 196
Spin-Orbit Coupling and Electronic Correlations in
journal, March 2018
- Kim, Minjae; Mravlje, Jernej; Ferrero, Michel
- Physical Review Letters, Vol. 120, Issue 12
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
Magnetic properties of SrRuO 3 Single Crystal
journal, December 1976
- Kanbayasi, Akio
- Journal of the Physical Society of Japan, Vol. 41, Issue 6
Orbital Magnetism and Spin-Orbit Effects in the Electronic Structure of
journal, November 2010
- Laguna-Marco, M. A.; Haskel, D.; Souza-Neto, N.
- Physical Review Letters, Vol. 105, Issue 21
Superconductivity in a layered perovskite without copper
journal, December 1994
- Maeno, Y.; Hashimoto, H.; Yoshida, K.
- Nature, Vol. 372, Issue 6506
Coherent and incoherent band dispersions in
journal, December 2009
- Takizawa, M.; Minohara, M.; Kumigashira, H.
- Physical Review B, Vol. 80, Issue 23
Strong Correlations from Hund’s Coupling
journal, April 2013
- Georges, Antoine; Medici, Luca de'; Mravlje, Jernej
- Annual Review of Condensed Matter Physics, Vol. 4, Issue 1
Thermal, magnetic, and transport properties of single-crystal
journal, July 1997
- Cao, G.; McCall, S.; Shepard, M.
- Physical Review B, Vol. 56, Issue 1
Manifestation of correlation effects in the photoemission spectra of
journal, August 2005
- Takizawa, M.; Toyota, D.; Wadati, H.
- Physical Review B, Vol. 72, Issue 6
The temperature dependence of the lattice constant of SrTiO 3 around the 105 K transition
journal, February 1984
- Ohama, N.; Sakashita, H.; Okazaki, A.
- Phase Transitions, Vol. 4, Issue 2
Sr 2 RhO 4 : a new, clean correlated electron metal
journal, September 2006
- Perry, R. S.; Baumberger, F.; Balicas, L.
- New Journal of Physics, Vol. 8, Issue 9
Coherence-Incoherence Crossover and the Mass-Renormalization Puzzles in
journal, March 2011
- Mravlje, Jernej; Aichhorn, Markus; Miyake, Takashi
- Physical Review Letters, Vol. 106, Issue 9
Dimensionality-Controlled Insulator-Metal Transition and Correlated Metallic State in Transition Metal Oxides ( , 2, and )
journal, November 2008
- Moon, S. J.; Jin, H.; Kim, K. W.
- Physical Review Letters, Vol. 101, Issue 22
Mutual Experimental and Theoretical Validation of Bulk Photoemission Spectra of
journal, October 2004
- Sekiyama, A.; Fujiwara, H.; Imada, S.
- Physical Review Letters, Vol. 93, Issue 15
Mott transition, spin-orbit effects, and magnetism in
journal, February 2017
- Zhang, Guoren; Pavarini, Eva
- Physical Review B, Vol. 95, Issue 7
Mott transition in degenerate Hubbard models: Application to doped fullerenes
journal, October 1996
- Gunnarsson, Olle; Koch, Erik; Martin, Richard M.
- Physical Review B, Vol. 54, Issue 16
Angle-Resolved Photoemission Spectroscopy of the Insulating : Anderson Localization, Polaron Formation, and Remnant Fermi Surface
journal, April 2006
- Raj, S.; Hashimoto, D.; Matsui, H.
- Physical Review Letters, Vol. 96, Issue 14
Enhanced paramagnetism of the itinerant electrons in the rhodium oxide perovskite
journal, November 2001
- Yamaura, K.; Takayama-Muromachi, E.
- Physical Review B, Vol. 64, Issue 22
Real-Space Coexistence of the Melted Mott State and Superconductivity in Fe-Substituted
journal, October 2012
- Ang, R.; Tanaka, Y.; Ieki, E.
- Physical Review Letters, Vol. 109, Issue 17
The superconductivity of and the physics of spin-triplet pairing
journal, May 2003
- Mackenzie, Andrew Peter; Maeno, Yoshiteru
- Reviews of Modern Physics, Vol. 75, Issue 2
Electronic correlations, magnetism, and Hund's rule coupling in the ruthenium perovskites and
journal, May 2015
- Dang, Hung T.; Mravlje, Jernej; Georges, Antoine
- Physical Review B, Vol. 91, Issue 19
Intrinsic high electrical conductivity of stoichiometric epitaxial thin films
journal, November 2015
- Oka, Daichi; Hirose, Yasushi; Nakao, Shoichiro
- Physical Review B, Vol. 92, Issue 20
Angle-resolved photoemission study of (100) and (110) surfaces
journal, March 1996
- Haruyama, Y.; Kodaira, S.; Aiura, Y.
- Physical Review B, Vol. 53, Issue 12
TRIQS: A toolbox for research on interacting quantum systems
dataset, January 2019
- Parcollet, Olivier
- Mendeley
TRIQS/DFTTools: A TRIQS application for ab initio calculations of correlated materials
dataset, January 2019
- Aichhorn, Markus
- Mendeley
TRIQS/DFTTools: A TRIQS application for ab initio calculations of correlated materials
dataset, January 2016
- Aichhorn, Markus
- Mendeley
TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridisation expansion solver for quantum impurity problems
dataset, January 2019
- Seth, Priyanka
- Mendeley
TRIQS: A toolbox for research on interacting quantum systems
dataset, January 2019
- Parcollet, Olivier
- Mendeley