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Title: Strong spin-orbit coupling and Dirac nodal lines in the three-dimensional electronic structure of metallic rutile IrO 2

Abstract

Using high-resolution angle-resolved photoemission spectroscopy and ab initio calculation, we have studied the bulk and surface electronic structure of metallic rutile 5d transition metal oxide IrO2 that harbors both edge and corner sharing Ir-O octahedrons. We observe strong modulation of the band structure by spin-orbit coupling (SOC). The measured band structure is well reproduced by our ab initio calculation without band renormalization, suggesting the absence of the SOC-enhanced correlation effect in IrO2. In accordance with the calculation, we visualize two types of Dirac nodal lines (DNLs) protected by mirror symmetry and nonsymmorphic crystal symmetry, respectively. SOC gaps the first type of DNLs, which may contribute largely to the strong spin Hall effect. Furthermore, the second type of DNLs at the edges of Brillouin zone, however, remain intact against SOC. Our results not only provide important insights into the exotic transport properties of IrO2, but also shed light on the understanding of the role of SOC in the iridate family.

Authors:
 [1];  [2];  [3];  [3];  [3];  [1];  [1];  [4];  [3];  [3];  [5];  [5];  [3];  [6];  [7]
+ Show Author Affiliations
  1. Tsinghua Univ., Beijing (People's Republic of China)
  2. ShanghaiTech Univ., Shanghai (People's Republic of China); Univ. of Oxford, Oxford (United Kingdom); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  3. Max Planck Inst. for Chemical Physics of Solids, Dresden (Germany)
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  5. ShanghaiTech Univ., Shanghai (People's Republic of China)
  6. Tsinghua Univ., Beijing (People's Republic of China); Collaborative Innovation Center of Quantum Matter, Beijing (People's Republic of China)
  7. Tsinghua Univ., Beijing (People's Republic of China); ShanghaiTech Univ., Shanghai (People's Republic of China)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division
OSTI Identifier:
1572006
Alternate Identifier(s):
OSTI ID: 1510546
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 99; Journal Issue: 19; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Xu, X., Jiang, J., Shi, W. J., Süß, Vicky, Shekhar, C., Sun, S. C., Chen, Y. J., Mo, S. -K., Felser, C., Yan, B. H., Yang, H. F., Liu, Z. K., Sun, Y., Yang, L. X., and Chen, Y. L. Strong spin-orbit coupling and Dirac nodal lines in the three-dimensional electronic structure of metallic rutile IrO2. United States: N. p., 2019. Web. doi:10.1103/physrevb.99.195106.
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Xu, X., Jiang, J., Shi, W. J., Süß, Vicky, Shekhar, C., Sun, S. C., Chen, Y. J., Mo, S. -K., Felser, C., Yan, B. H., Yang, H. F., Liu, Z. K., Sun, Y., Yang, L. X., & Chen, Y. L. Strong spin-orbit coupling and Dirac nodal lines in the three-dimensional electronic structure of metallic rutile IrO2. United States. https://doi.org/10.1103/physrevb.99.195106
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Xu, X., Jiang, J., Shi, W. J., Süß, Vicky, Shekhar, C., Sun, S. C., Chen, Y. J., Mo, S. -K., Felser, C., Yan, B. H., Yang, H. F., Liu, Z. K., Sun, Y., Yang, L. X., and Chen, Y. L. Fri . "Strong spin-orbit coupling and Dirac nodal lines in the three-dimensional electronic structure of metallic rutile IrO2". United States. https://doi.org/10.1103/physrevb.99.195106. https://www.osti.gov/servlets/purl/1572006.
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@article{osti_1572006,
title = {Strong spin-orbit coupling and Dirac nodal lines in the three-dimensional electronic structure of metallic rutile IrO2},
author = {Xu, X. and Jiang, J. and Shi, W. J. and Süß, Vicky and Shekhar, C. and Sun, S. C. and Chen, Y. J. and Mo, S. -K. and Felser, C. and Yan, B. H. and Yang, H. F. and Liu, Z. K. and Sun, Y. and Yang, L. X. and Chen, Y. L.},
abstractNote = {Using high-resolution angle-resolved photoemission spectroscopy and ab initio calculation, we have studied the bulk and surface electronic structure of metallic rutile 5d transition metal oxide IrO2 that harbors both edge and corner sharing Ir-O octahedrons. We observe strong modulation of the band structure by spin-orbit coupling (SOC). The measured band structure is well reproduced by our ab initio calculation without band renormalization, suggesting the absence of the SOC-enhanced correlation effect in IrO2. In accordance with the calculation, we visualize two types of Dirac nodal lines (DNLs) protected by mirror symmetry and nonsymmorphic crystal symmetry, respectively. SOC gaps the first type of DNLs, which may contribute largely to the strong spin Hall effect. Furthermore, the second type of DNLs at the edges of Brillouin zone, however, remain intact against SOC. Our results not only provide important insights into the exotic transport properties of IrO2, but also shed light on the understanding of the role of SOC in the iridate family.},
doi = {10.1103/physrevb.99.195106},
journal = {Physical Review B},
number = 19,
volume = 99,
place = {United States},
year = {Fri May 03 00:00:00 EDT 2019},
month = {Fri May 03 00:00:00 EDT 2019}
}
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Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1103/physrevb.99.195106
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Cited by: 15 works
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Figures / Tables:

FIG. 1 FIG. 1: Overview of the crystalline symmetry of IrO2 and band structure (a) Bird-eye view and (b) Top view of crystal structure of IrO2. Critical symmetry operations are indicated upon the lattice. (c) Core-level photoemission spectrum clearly showing iridium 4 f and 5p peaks. (d) Theoretically predicted DNLs in three-dimensionalmore » (3D) Brillouin zone (BZ) of IrO2 [first type of Dirac nodal lines (DNLs) in blue, while second type of DNLs appear in green]. The light purple planes indicate the mirror planes. (e), (f) Calculated bulk electronic structure of IrO2 (e) without and (f) with spin-orbit coupling. Blue dotted circles and green lines indicate the position of DNLs.« less
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