A novel quasi-one-dimensional topological insulator in bismuth iodide β-Bi4I4

Autes, Gabriel; Isaeva, Anna; Moreschini, Luca; Johannsen, Jens C.; Pisoni, Andrea; Mori, Ryo; Zhang, Wentao; Filatova, Taisia G.; Kuznetsov, Alexey N.; Forro, Laszlo; Van den Broek, Wouter; Kim, Yeongkwan; Kim, Keun Su; Lanzara, Alessandra; Denlinger, Jonathan D.; Rotenberg, Eli; Bostwick, Aaron; Grioni, Marco; Yazyev, Oleg V.

doi:10.1038/nmat4488

Title: A novel quasi-one-dimensional topological insulator in bismuth iodide β-Bi₄I₄

Journal Article · Mon Dec 14 00:00:00 EST 2015 · Nature Materials

DOI:https://doi.org/10.1038/nmat4488· OSTI ID:1460290

^[1]; Isaeva, Anna ^[2]; Moreschini, Luca ^[3]; Johannsen, Jens C. ^[4]; Pisoni, Andrea ^[4]; Mori, Ryo ^[5]; Zhang, Wentao ^[6]; Filatova, Taisia G. ^[7]; Kuznetsov, Alexey N. ^[7]; Forro, Laszlo ^[4]; Van den Broek, Wouter ^[8]; Kim, Yeongkwan ^[9]; Kim, Keun Su ^[10]; Lanzara, Alessandra ^[6]; Denlinger, Jonathan D. ^[3]; Rotenberg, Eli ^[3]; Bostwick, Aaron ^[3]; Grioni, Marco ^[4];

^[1]

Swiss Federal Inst. of Technology in Lausanne (EPFL) (Switzlerland). Inst. of Theoretical Physics. National Center for Computational Design and Discovery of Novel Materials MARVEL
TU Dresden (Germany). Dept. of Chemistry and Food Chemistry
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
Swiss Federal Inst. of Technology in Lausanne (EPFL) (Switzlerland). Inst. of Condensed Matter Physics
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division; Univ. of California, Berkeley, CA (United States). Graduate Group in Applied Science and Technology
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division; Univ. of California, Berkeley, CA (United States). Dept. of Physics
Lomonosov Moscow State Univ., Moscow (Russian Federation). Dept. of Chemistry
Ulm Univ. (Germany). Experimental Physics
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS); Yonsei Univ., Seoul (Korea, Republic of). Inst. of Physics and Applied Physics
Pohang Univ. of Science and Technology (POSTECH) (Korea, Republic of). Dept. of Physics; Inst. for Basic Science, Pohang (Korea, Republic of). Center for Artificial Low Dimensional Electronic Systems

Recent progress in the field of topological states of matter has largely been initiated by the discovery of bismuth and antimony chalcogenide bulk topological insulators, followed by closely related ternary compounds and predictions of several weak TIs. However, both the conceptual richness of Z₂ classification of TIs as well as their structural and compositional diversity are far from being fully exploited. In this paper, a new Z₂ topological insulator is theoretically predicted and experimentally confirmed in the β-phase of quasi-one-dimensional bismuth iodide Bi₄I₄. The electronic structure of β-Bi₄I₄, characterized by Z₂ invariants (1;110), is in proximity of both the weak TI phase (0;001) and the trivial insulator phase (0;000). Finally, our angle-resolved photoemission spectroscopy measurements performed on the (001) surface reveal a highly anisotropic band-crossing feature located at the _M¯ point of the surface Brillouin zone and showing no dispersion with the photon energy, thus being fully consistent with the theoretical prediction.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); Swiss National Science Foundation (SNSF); European Research Council (ERC); German Research Foundation (DFG); Carl Zeiss Foundation (Germany)

Grant/Contract Number:: AC02-05CH11231; PP00P2_133552; PA00P21-36420; 306504; IS 250/1-1

OSTI ID:: 1460290

Journal Information:: Nature Materials, Vol. 15, Issue 2; ISSN 1476-1122

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 75 works

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References (36)

Weak topological insulators induced by the interlayer coupling: A first-principles study of stacked Bi $_{2}$ TeI Tang, Peizhe; Yan, Binghai; Cao, Wendong Physical Review B, Vol. 89, Issue 4 https://doi.org/10.1103/PhysRevB.89.041409	journal	January 2014
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
Topological insulators and superconductors Qi, Xiao-Liang; Zhang, Shou-Cheng Reviews of Modern Physics, Vol. 83, Issue 4 https://doi.org/10.1103/RevModPhys.83.1057	journal	October 2011
Atom-specific spin mapping and buried topological states in a homologous series of topological insulators Eremeev, Sergey V.; Landolt, Gabriel; Menshchikova, Tatiana V. Nature Communications, Vol. 3, Issue 1 https://doi.org/10.1038/ncomms1638	journal	January 2012
Topological insulators with inversion symmetry Fu, Liang; Kane, C. L. Physical Review B, Vol. 76, Issue 4 https://doi.org/10.1103/PhysRevB.76.045302	journal	July 2007
Wismutmonojodid BiJ, eine Verbindung mit Bi(O) und Bi(II) von Schnering, Hans Georg; von Benda, Heike; Kalveram, Christa Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 438, Issue 1 https://doi.org/10.1002/zaac.19784380104	journal	February 1978
BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures Deslippe, Jack; Samsonidze, Georgy; Strubbe, David A. Computer Physics Communications, Vol. 183, Issue 6 https://doi.org/10.1016/j.cpc.2011.12.006	journal	June 2012
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
wannier90: A tool for obtaining maximally-localised Wannier functions Mostofi, Arash A.; Yates, Jonathan R.; Lee, Young-Su Computer Physics Communications, Vol. 178, Issue 9 https://doi.org/10.1016/j.cpc.2007.11.016	journal	May 2008
Closed-form solutions to surface Green's functions Umerski, A. Physical Review B, Vol. 55, Issue 8 https://doi.org/10.1103/PhysRevB.55.5266	journal	February 1997
Colloquium: Topological insulators Hasan, M. Z.; Kane, C. L. Reviews of Modern Physics, Vol. 82, Issue 4, p. 3045-3067 https://doi.org/10.1103/RevModPhys.82.3045	journal	November 2010
Experimental Realization of a Three-Dimensional Topological Insulator, Bi₂Te₃ Chen, Y. L.; Analytis, J. G.; Chu, J.-H. Science, Vol. 325, Issue 5937, p. 178-181 https://doi.org/10.1126/science.1173034	journal	June 2009
Large-Gap Quantum Spin Hall Insulator in Single Layer Bismuth Monobromide Bi ₄ Br ₄ Zhou, Jin-Jian; Feng, Wanxiang; Liu, Cheng-Cheng Nano Letters, Vol. 14, Issue 8 https://doi.org/10.1021/nl501907g	journal	July 2014
Experimental Realization of a Three-Dimensional Topological Insulator Phase in Ternary Chalcogenide ${TlBiSe}_{2}$ Kuroda, K.; Ye, M.; Kimura, A. Physical Review Letters, Vol. 105, Issue 14 https://doi.org/10.1103/PhysRevLett.105.146801	journal	September 2010
Bismuth-based candidates for topological insulators: Chemistry beyond Bi ₂ Te ₃ Isaeva, Anna; Rasche, Bertold; Ruck, Michael physica status solidi (RRL) - Rapid Research Letters, Vol. 7, Issue 1-2 https://doi.org/10.1002/pssr.201206405	journal	February 2013
False-positive and false-negative assignments of topological insulators in density functional theory and hybrids Vidal, J.; Zhang, X.; Yu, L. Physical Review B, Vol. 84, Issue 4 https://doi.org/10.1103/PhysRevB.84.041109	journal	July 2011
$G W$ study of topological insulators Bi $_{2}$ Se $_{3}$ , Bi $_{2}$ Te $_{3}$ , and Sb $_{2}$ Te $_{3}$ : Beyond the perturbative one-shot approach Aguilera, Irene; Friedrich, Christoph; Bihlmayer, Gustav Physical Review B, Vol. 88, Issue 4 https://doi.org/10.1103/PhysRevB.88.045206	journal	July 2013
Observation of a large-gap topological-insulator class with a single Dirac cone on the surface Xia, Y.; Qian, D.; Hsieh, D. Nature Physics, Vol. 5, Issue 6, p. 398-402 https://doi.org/10.1038/nphys1274	journal	May 2009
Topological insulators in Bi₂Se₃, Bi₂Te₃ and Sb₂Te₃ with a single Dirac cone on the surface Zhang, Haijun; Liu, Chao-Xing; Qi, Xiao-Liang Nature Physics, Vol. 5, Issue 6, p. 438-442 https://doi.org/10.1038/nphys1270	journal	May 2009
Topological Insulator Materials Ando, Yoichi Journal of the Physical Society of Japan, Vol. 82, Issue 10, Article No. 102001 https://doi.org/10.7566/JPSJ.82.102001	journal	October 2013
Topological surface states and Dirac point tuning in ternary topological insulators Neupane, M.; Xu, S. -Y.; Wray, L. A. Physical Review B, Vol. 85, Issue 23 https://doi.org/10.1103/PhysRevB.85.235406	journal	June 2012
Observation of a highly spin-polarized topological surface state in GeBi $_{2}$ Te $_{4}$ Okamoto, K.; Kuroda, K.; Miyahara, H. Physical Review B, Vol. 86, Issue 19 https://doi.org/10.1103/PhysRevB.86.195304	journal	November 2012
Evidence for a direct band gap in the topological insulator Bi $_{2}$ Se $_{3}$ from theory and experiment Nechaev, I. A.; Hatch, R. C.; Bianchi, M. Physical Review B, Vol. 87, Issue 12 https://doi.org/10.1103/PhysRevB.87.121111	journal	March 2013
Experimental Verification of ${PbBi}_{2} {Te}_{4}$ as a 3D Topological Insulator Kuroda, K.; Miyahara, H.; Ye, M. Physical Review Letters, Vol. 108, Issue 20 https://doi.org/10.1103/PhysRevLett.108.206803	journal	May 2012
Spin-orbit coupling with ultrasoft pseudopotentials: Application to Au and Pt Corso, Andrea Dal; Conte, Adriano Mosca Physical Review B, Vol. 71, Issue 11 https://doi.org/10.1103/PhysRevB.71.115106	journal	March 2005
Prediction of Weak Topological Insulators in Layered Semiconductors Yan, Binghai; Müchler, Lukas; Felser, Claudia Physical Review Letters, Vol. 109, Issue 11 https://doi.org/10.1103/PhysRevLett.109.116406	journal	September 2012
Electronic structure, galvanomagnetic and magnetic properties of the bismuth subhalides Bi4I4 and Bi4Br4 Filatova, T. G.; Gurin, P. V.; Kloo, L. Journal of Solid State Chemistry, Vol. 180, Issue 3 https://doi.org/10.1016/j.jssc.2007.01.010	journal	March 2007
Direct Evidence for the Dirac-Cone Topological Surface States in the Ternary Chalcogenide ${TlBiSe}_{2}$ Sato, Takafumi; Segawa, Kouji; Guo, Hua Physical Review Letters, Vol. 105, Issue 13 https://doi.org/10.1103/PhysRevLett.105.136802	journal	September 2010
Topological Surface States in Lead-Based Ternary Telluride $Pb ({Bi}_{1 - x} {Sb}_{x})_{2} {Te}_{4}$ Souma, S.; Eto, K.; Nomura, M. Physical Review Letters, Vol. 108, Issue 11 https://doi.org/10.1103/PhysRevLett.108.116801	journal	March 2012
Single Dirac Cone Topological Surface State and Unusual Thermoelectric Property of Compounds from a New Topological Insulator Family Chen, Y. L.; Liu, Z. K.; Analytis, J. G. Physical Review Letters, Vol. 105, Issue 26 https://doi.org/10.1103/PhysRevLett.105.266401	journal	December 2010
Quasiparticle effects in the bulk and surface-state bands of Bi $_{2}$ Se $_{3}$ and Bi $_{2}$ Te $_{3}$ topological insulators Yazyev, Oleg V.; Kioupakis, Emmanouil; Moore, Joel E. Physical Review B, Vol. 85, Issue 16 https://doi.org/10.1103/PhysRevB.85.161101	journal	April 2012
Stacked topological insulator built from bismuth-based graphene sheet analogues Rasche, Bertold; Isaeva, Anna; Ruck, Michael Nature Materials, Vol. 12, Issue 5 https://doi.org/10.1038/nmat3570	journal	March 2013
A tunable topological insulator in the spin helical Dirac transport regime Hsieh, D.; Xia, Y.; Qian, D. Nature, Vol. 460, Issue 7259 https://doi.org/10.1038/nature08234	journal	July 2009
Topological materials Yan, Binghai; Zhang, Shou-Cheng Reports on Progress in Physics, Vol. 75, Issue 9 https://doi.org/10.1088/0034-4885/75/9/096501	journal	August 2012
BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures Deslippe, Jack Mendeley https://doi.org/10.17632/dzk6frrs69.1	dataset	January 2019
wannier90: A tool for obtaining maximally-localised Wannier functions Mostofi, Arash A. Mendeley https://doi.org/10.17632/rtdryyvsxz.1	dataset	January 2019

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Oscillating edge states in one-dimensional MoS2 nanowires Xu, Hai; Liu, Shuanglong; Ding, Zijing Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms12904	journal	October 2016
Pressure-induced superconductivity and topological quantum phase transitions in a quasi-one-dimensional topological insulator: Bi4I4 Qi, Yanpeng; Shi, Wujun; Werner, Peter npj Quantum Materials, Vol. 3, Issue 1 https://doi.org/10.1038/s41535-018-0078-3	journal	January 2018
A weak topological insulator state in quasi-one-dimensional bismuth iodide Noguchi, Ryo; Takahashi, T.; Kuroda, K. Nature, Vol. 566, Issue 7745 https://doi.org/10.1038/s41586-019-0927-7	journal	February 2019
Tuning the upconversion light emission by bandgap engineering in bismuth oxide-based upconverting nanoparticles Back, M.; Trave, E.; Mazzucco, N. Nanoscale, Vol. 9, Issue 19 https://doi.org/10.1039/c6nr09350g	journal	January 2017
Pressure-induced phase transitions and superconductivity in a quasi–1-dimensional topological crystalline insulator α-Bi ₄ Br ₄ Li, Xiang; Chen, Dongyun; Jin, Meiling Proceedings of the National Academy of Sciences, Vol. 116, Issue 36 https://doi.org/10.1073/pnas.1909276116	journal	August 2019
Purely rotational symmetry-protected topological crystalline insulator $\alpha$ -Bi 4 Br 4 Hsu, Chuang-Han; Zhou, Xiaoting; Ma, Qiong 2D Materials, Vol. 6, Issue 3 https://doi.org/10.1088/2053-1583/ab1607	journal	May 2019
First-principles study of high-pressure phase stability and superconductivity of ${Bi}_{4} I_{4}$ Deng, Shiyu; Song, Xianqi; Shao, Xuecheng Physical Review B, Vol. 100, Issue 22 https://doi.org/10.1103/physrevb.100.224108	journal	December 2019
Self-organized pseudo-graphene on grain boundaries in topological band insulators Slager, Robert-Jan; Juričić, Vladimir; Lahtinen, Ville Physical Review B, Vol. 93, Issue 24 https://doi.org/10.1103/physrevb.93.245406	journal	June 2016
Aperiodic Weak Topological Superconductors Fulga, I. C.; Pikulin, D. I.; Loring, T. A. Physical Review Letters, Vol. 116, Issue 25 https://doi.org/10.1103/physrevlett.116.257002	journal	June 2016
Proving Nontrivial Topology of Pure Bismuth by Quantum Confinement Ito, S.; Feng, B.; Arita, M. Physical Review Letters, Vol. 117, Issue 23 https://doi.org/10.1103/physrevlett.117.236402	journal	December 2016
Evidence for a Strong Topological Insulator Phase in ${ZrTe}_{5}$ Manzoni, G.; Gragnaniello, L.; Autès, G. Physical Review Letters, Vol. 117, Issue 23 https://doi.org/10.1103/physrevlett.117.237601	journal	November 2016
Phase diagrams in materials science of topological insulators based on metal chalcogenides Babanly, M. B.; Chulkov, E. V.; Aliev, Z. S. Russian Journal of Inorganic Chemistry, Vol. 62, Issue 13 https://doi.org/10.1134/s0036023617130034	journal	December 2017
High-Pressure Modification of BiI3 Schwarz, Ulrich; Wosylus, Aron; Schmidt, Marcus Inorganics, Vol. 7, Issue 12 https://doi.org/10.3390/inorganics7120143	journal	December 2019
Self-organized pseudo-graphene on grain boundaries in topological band insulators Slager, Robert-Jan; Juricic, Vladimir; Lahtinen, Ville arXiv https://doi.org/10.48550/arxiv.1509.07705	text	January 2015
Pressure-induced superconductivity and topological quantum phase transitions in a quasi-one-dimensional topological insulator: Bi4I4 Qi, Yanpeng; Shi, Wujun; Werner, Peter arXiv https://doi.org/10.48550/arxiv.1701.08860	preprint	January 2017

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