Dirac nodal lines and large spin Hall effect in the 6H-perovskite iridate Ba3TiIr2O9

Bhowal, Sayantika; Satpathy, S.

doi:10.1103/physrevb.100.115101

Title: Dirac nodal lines and large spin Hall effect in the $6 H$ -perovskite iridate ${Ba}_{3} {TiIr}_{2} O_{9}$

Journal Article · Tue Sep 03 00:00:00 EDT 2019 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.100.115101· OSTI ID:1577660

^[1]; Satpathy, S. ^[1]

Univ. of Missouri, Columbia, MO (United States)

Nodal line semimetals with symmetry protected band structure offer a platform for the investigation of a number of emerging quantum phenomena. Using first-principles calculation combined with symmetry analysis, we demonstrate that Ba₃TiIr₂O₉ hosts a Dirac nodal line (DNL) along the A-L direction of the Brillouin zone, protected by the glide reflection symmetry. In the presence of the spin-orbit coupling, even though the DNL along the A-L direction is protected, DNLs along other directions as well as multiple nodal loops present in the system gap out. The gapped out Dirac nodal loops act as a source of spin Berry curvature, resulting in a large spin Hall conductivity (≈300 $$^h_{\bar{e}}$$ Ω^–1 cm^–1). This suggests the possible application of the material as a spin current detector.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of Missouri, Columbia, MO (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; USDOE

Grant/Contract Number:: FG02-00ER45818

OSTI ID:: 1577660

Alternate ID(s):: OSTI ID: 1560313

Journal Information:: Physical Review. B, Vol. 100, Issue 11; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 13 works

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References (35)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Crystal structures and magnetic properties of 6H-perovskite-type oxides Ba3MIr2O9 (M=Mg, Ca, Sc, Ti, Zn, Sr, Zr, Cd and In) Sakamoto, Takeshi; Doi, Yoshihiro; Hinatsu, Yukio Journal of Solid State Chemistry, Vol. 179, Issue 8 https://doi.org/10.1016/j.jssc.2006.04.055	journal	August 2006
Weyl semimetals, Fermi arcs and chiral anomalies Jia, Shuang; Xu, Su-Yang; Hasan, M. Zahid Nature Materials, Vol. 15, Issue 11 https://doi.org/10.1038/nmat4787	journal	October 2016
Nodal-chain metals Bzdušek, Tomáš; Wu, QuanSheng; Rüegg, Andreas Nature, Vol. 538, Issue 7623 https://doi.org/10.1038/nature19099	journal	August 2016
Hourglass fermions Wang, Zhijun; Alexandradinata, A.; Cava, R. J. Nature, Vol. 532, Issue 7598 https://doi.org/10.1038/nature17410	journal	April 2016
Topological nodal-line fermions in spin-orbit metal PbTaSe2 Bian, Guang; Chang, Tay-Rong; Sankar, Raman Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms10556	journal	February 2016
Nonsymmorphic cubic Dirac point and crossed nodal rings across the ferroelectric phase transition in ${LiOsO}_{3}$ Yu, Wing Chi; Zhou, Xiaoting; Chuang, Feng-Chuan Physical Review Materials, Vol. 2, Issue 5 https://doi.org/10.1103/PhysRevMaterials.2.051201	journal	May 2018
Double crystallographic groups and their representations on the Bilbao Crystallographic Server Elcoro, Luis; Bradlyn, Barry; Wang, Zhijun Journal of Applied Crystallography, Vol. 50, Issue 5 https://doi.org/10.1107/S1600576717011712	journal	September 2017
Quasitopological electromagnetic response of line-node semimetals Ramamurthy, Srinidhi T.; Hughes, Taylor L. Physical Review B, Vol. 95, Issue 7 https://doi.org/10.1103/PhysRevB.95.075138	journal	February 2017
Topological Hourglass Dirac Semimetal in the Nonpolar Phase of ${Ag}_{2} {BiO}_{3}$ Singh, Bahadur; Ghosh, Barun; Su, Chenliang Physical Review Letters, Vol. 121, Issue 22 https://doi.org/10.1103/PhysRevLett.121.226401	journal	November 2018
Topological nodal line semimetals with and without spin-orbital coupling Fang, Chen; Chen, Yige; Kee, Hae-Young Physical Review B, Vol. 92, Issue 8 https://doi.org/10.1103/PhysRevB.92.081201	journal	August 2015
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Möbius topological superconductivity in ${UPt}_{3}$ Yanase, Youichi; Shiozaki, Ken Physical Review B, Vol. 95, Issue 22 https://doi.org/10.1103/PhysRevB.95.224514	journal	June 2017
Dielectric constants of Ir, Ru, Pt, and ${IrO}_{2}$ : Contributions from bound charges Choi, W. S.; Seo, S. S. A.; Kim, K. W. Physical Review B, Vol. 74, Issue 20 https://doi.org/10.1103/PhysRevB.74.205117	journal	November 2006
Symmetry-imposed shape of linear response tensors Seemann, M.; Ködderitzsch, D.; Wimmer, S. Physical Review B, Vol. 92, Issue 15 https://doi.org/10.1103/PhysRevB.92.155138	journal	October 2015
Symmetry demanded topological nodal-line materials Yang, Shuo-Ying; Yang, Hao; Derunova, Elena Advances in Physics: X, Vol. 3, Issue 1 https://doi.org/10.1080/23746149.2017.1414631	journal	January 2018
Topological nodal semimetals Burkov, A. A.; Hook, M. D.; Balents, Leon Physical Review B, Vol. 84, Issue 23 https://doi.org/10.1103/PhysRevB.84.235126	journal	December 2011
Spin–orbit coupling driven novel magnetism in d ⁵ 6H-perovskite iridates Ba ₃ IrTi ₂ O ₉ and Ba ₃ TiIr ₂ O ₉ Bhowal, Sayantika; Ganguly, Shreemoyee; Dasgupta, Indra Journal of Physics: Condensed Matter, Vol. 31, Issue 18 https://doi.org/10.1088/1361-648X/ab048c	journal	March 2019
$Z_{2}$ topology in nonsymmorphic crystalline insulators: Möbius twist in surface states Shiozaki, Ken; Sato, Masatoshi; Gomi, Kiyonori Physical Review B, Vol. 91, Issue 15 https://doi.org/10.1103/PhysRevB.91.155120	journal	April 2015
Topological transport in Dirac nodal-line semimetals Rui, W. B.; Zhao, Y. X.; Schnyder, Andreas P. Physical Review B, Vol. 97, Issue 16 https://doi.org/10.1103/PhysRevB.97.161113	journal	April 2018
Long-range Coulomb interaction in nodal-ring semimetals Huh, Yejin; Moon, Eun-Gook; Kim, Yong Baek Physical Review B, Vol. 93, Issue 3 https://doi.org/10.1103/PhysRevB.93.035138	journal	January 2016
Dirac nodal lines and induced spin Hall effect in metallic rutile oxides Sun, Yan; Zhang, Yang; Liu, Chao-Xing Physical Review B, Vol. 95, Issue 23 https://doi.org/10.1103/PhysRevB.95.235104	journal	June 2017
Electronic structure and spin-orbit driven magnetism in $d^{4.5}$ insulator ${Ba}_{3} {YIr}_{2} O_{9}$ Panda, S. K.; Bhowal, S.; Li, Ying Physical Review B, Vol. 92, Issue 18 https://doi.org/10.1103/PhysRevB.92.180403	journal	November 2015
Muffin-tin orbitals of arbitrary order Andersen, O. K.; Saha-Dasgupta, T. Physical Review B, Vol. 62, Issue 24 https://doi.org/10.1103/PhysRevB.62.R16219	journal	December 2000
Origin of the Spin-Orbital Liquid State in a Nearly $J = 0$ Iridate ${Ba}_{3} {ZnIr}_{2} O_{9}$ Nag, Abhishek; Middey, S.; Bhowal, Sayantika Physical Review Letters, Vol. 116, Issue 9 https://doi.org/10.1103/PhysRevLett.116.097205	journal	March 2016
Spin Hall Effect Hirsch, J. E. Physical Review Letters, Vol. 83, Issue 9 https://doi.org/10.1103/PhysRevLett.83.1834	journal	August 1999
From Nodal Chain Semimetal to Weyl Semimetal in HfC Yu, Rui; Wu, Quansheng; Fang, Zhong Physical Review Letters, Vol. 119, Issue 3 https://doi.org/10.1103/PhysRevLett.119.036401	journal	July 2017
Topological semimetal and Fermi-arc surface states in the electronic structure of pyrochlore iridates Wan, Xiangang; Turner, Ari M.; Vishwanath, Ashvin Physical Review B, Vol. 83, Issue 20 https://doi.org/10.1103/PhysRevB.83.205101	journal	May 2011
Spin hall Effect Schliemann, John International Journal of Modern Physics B, Vol. 20, Issue 09 https://doi.org/10.1142/s021797920603370x	journal	April 2006
From Nodal Chain Semimetal To Weyl Semimetal in HfC Yu, Rui; Wu, Quansheng; Fang, Zhong arXiv https://doi.org/10.48550/arxiv.1701.08502	text	January 2017
Topological transport in Dirac nodal-line semimetals Rui, W. B.; Zhao, Y. X.; Schnyder, Andreas P. arXiv https://doi.org/10.48550/arxiv.1703.05958	text	January 2017
Symmetry Demanded Topological Nodal-line Materials Yang, Shuo-Ying; Yang, Hao; Derunova, Elena arXiv https://doi.org/10.48550/arxiv.1707.04523	text	January 2017
Nonsymmorphic cubic Dirac point and crossed nodal rings across the ferroelectric phase transition in LiOsO$_3$ Yu, Wing Chi; Zhou, Xiaoting; Chuang, Feng-Chuan arXiv https://doi.org/10.48550/arxiv.1804.09389	text	January 2018
Muffin Tin Orbitals of Arbitrary Order Andersen, O. K.; Saha-Dasgupta, T. arXiv https://doi.org/10.48550/arxiv.cond-mat/0010454	text	January 2000
Spin Hall effect Hirsch, J. E. arXiv https://doi.org/10.48550/arxiv.cond-mat/9906160	text	January 1999

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Study of nontrivial magnetism in $3 d − 5 d$ transition metal based double perovskites Ganguly, Shreemoyee; Bhowal, Sayantika Physical Review B, Vol. 101, Issue 8 https://doi.org/10.1103/physrevb.101.085104	journal	February 2020
Intrinsic orbital and spin Hall effects in monolayer transition metal dichalcogenides Bhowal, Sayantika; Satpathy, S. Physical Review B, Vol. 102, Issue 3 https://doi.org/10.1103/physrevb.102.035409	journal	July 2020
Study of Nontrivial Magnetism in 3$d$-5$d$ Transition Metal based Double Perovskites Ganguly, Shreemoyee; Bhowal, Sayantika arXiv https://doi.org/10.48550/arxiv.2001.01169	text	January 2020

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Title: Dirac nodal lines and large spin Hall effect in the $6 H$ -perovskite iridate ${Ba}_{3} {TiIr}_{2} O_{9}$