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

Abstract

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.

Authors:

^[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

Publication Date:: Mon Dec 14 00:00:00 EST 2015

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

Sponsoring Org.:: 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)

OSTI Identifier:: 1460290

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

Resource Type:: Accepted Manuscript

Journal Name:: Nature Materials

Additional Journal Information:: Journal Volume: 15; Journal Issue: 2; Journal ID: ISSN 1476-1122

Publisher:: Nature Publishing Group

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; electronic properties and materials; surfaces, interfaces and thin films; topological matter

Citation Formats


                    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, and Yazyev, Oleg V. A novel quasi-one-dimensional topological insulator in bismuth iodide β-Bi4I4.  United States: N. p., 2015. 
Web.  doi:10.1038/nmat4488.

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                    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. A novel quasi-one-dimensional topological insulator in bismuth iodide β-Bi4I4.  United States.  https://doi.org/10.1038/nmat4488

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                    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, and Yazyev, Oleg V. Mon .  
"A novel quasi-one-dimensional topological insulator in bismuth iodide β-Bi4I4".  United States.  https://doi.org/10.1038/nmat4488.  https://www.osti.gov/servlets/purl/1460290.

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@article{osti_1460290,

  title        = {A novel quasi-one-dimensional topological insulator in bismuth iodide β-Bi4I4},

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

  abstractNote = {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.},

  doi          = {10.1038/nmat4488},

  journal      = {Nature Materials},

  number       = 2,

  volume       = 15,

  place        = {United States},

  year         = {Mon Dec 14 00:00:00 EST 2015},

  month        = {Mon Dec 14 00:00:00 EST 2015}

}

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

Abstract

Citation Formats

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Topological surface states and Dirac point tuning in ternary topological insulators journal, June 2012

Observation of a highly spin-polarized topological surface state in GeBi 2 Te 4 journal, November 2012

Evidence for a direct band gap in the topological insulator Bi 2 Se 3 from theory and experiment journal, March 2013

Experimental Verification of PbBi 2 Te 4 as a 3D Topological Insulator journal, May 2012

Spin-orbit coupling with ultrasoft pseudopotentials: Application to Au and Pt journal, March 2005

Prediction of Weak Topological Insulators in Layered Semiconductors journal, September 2012

Electronic structure, galvanomagnetic and magnetic properties of the bismuth subhalides Bi4I4 and Bi4Br4 journal, March 2007

Direct Evidence for the Dirac-Cone Topological Surface States in the Ternary Chalcogenide TlBiSe 2 journal, September 2010

Topological Surface States in Lead-Based Ternary Telluride Pb ( Bi 1 − x Sb x ) 2 Te 4 journal, March 2012

Single Dirac Cone Topological Surface State and Unusual Thermoelectric Property of Compounds from a New Topological Insulator Family journal, December 2010

Quasiparticle effects in the bulk and surface-state bands of Bi 2 Se 3 and Bi 2 Te 3 topological insulators journal, April 2012

Stacked topological insulator built from bismuth-based graphene sheet analogues journal, March 2013

A tunable topological insulator in the spin helical Dirac transport regime journal, July 2009

Topological materials journal, August 2012

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures dataset, January 2019

wannier90: A tool for obtaining maximally-localised Wannier functions dataset, January 2019

Oscillating edge states in one-dimensional MoS2 nanowires journal, October 2016

Pressure-induced superconductivity and topological quantum phase transitions in a quasi-one-dimensional topological insulator: Bi4I4 journal, January 2018

A weak topological insulator state in quasi-one-dimensional bismuth iodide journal, February 2019

Tuning the upconversion light emission by bandgap engineering in bismuth oxide-based upconverting nanoparticles journal, January 2017

Pressure-induced phase transitions and superconductivity in a quasi–1-dimensional topological crystalline insulator α-Bi 4 Br 4 journal, August 2019

Purely rotational symmetry-protected topological crystalline insulator $\alpha$ -Bi 4 Br 4 journal, May 2019

First-principles study of high-pressure phase stability and superconductivity of Bi 4 I 4 journal, December 2019

Self-organized pseudo-graphene on grain boundaries in topological band insulators journal, June 2016

Aperiodic Weak Topological Superconductors journal, June 2016

Proving Nontrivial Topology of Pure Bismuth by Quantum Confinement journal, December 2016

Evidence for a Strong Topological Insulator Phase in ZrTe 5 journal, November 2016

Phase diagrams in materials science of topological insulators based on metal chalcogenides journal, December 2017

High-Pressure Modification of BiI3 journal, December 2019

Self-organized pseudo-graphene on grain boundaries in topological band insulators text, January 2015

Pressure-induced superconductivity and topological quantum phase transitions in a quasi-one-dimensional topological insulator: Bi4I4 preprint, January 2017

High-Pressure Modification of BiI3 journal, December 2019

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

Weak topological insulators induced by the interlayer coupling: A first-principles study of stacked Bi $_{2}$ TeI
journal, January 2014

Generalized Gradient Approximation Made Simple
journal, October 1996

Topological insulators and superconductors
journal, October 2011

Atom-specific spin mapping and buried topological states in a homologous series of topological insulators
journal, January 2012

Topological insulators with inversion symmetry
journal, July 2007

Wismutmonojodid BiJ, eine Verbindung mit Bi(O) und Bi(II)
journal, February 1978

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures
journal, June 2012

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

wannier90: A tool for obtaining maximally-localised Wannier functions
journal, May 2008

Closed-form solutions to surface Green's functions
journal, February 1997

Colloquium: Topological insulators
journal, November 2010

Experimental Realization of a Three-Dimensional Topological Insulator, Bi₂Te₃
journal, June 2009

Large-Gap Quantum Spin Hall Insulator in Single Layer Bismuth Monobromide Bi ₄ Br ₄
journal, July 2014

Experimental Realization of a Three-Dimensional Topological Insulator Phase in Ternary Chalcogenide ${TlBiSe}_{2}$
journal, September 2010

Bismuth-based candidates for topological insulators: Chemistry beyond Bi ₂ Te ₃
journal, February 2013

False-positive and false-negative assignments of topological insulators in density functional theory and hybrids
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
journal, July 2013

Observation of a large-gap topological-insulator class with a single Dirac cone on the surface
journal, May 2009

Topological insulators in Bi₂Se₃, Bi₂Te₃ and Sb₂Te₃ with a single Dirac cone on the surface
journal, May 2009

Topological Insulator Materials
journal, October 2013

Topological surface states and Dirac point tuning in ternary topological insulators
journal, June 2012

Observation of a highly spin-polarized topological surface state in GeBi $_{2}$ Te $_{4}$
journal, November 2012

Evidence for a direct band gap in the topological insulator Bi $_{2}$ Se $_{3}$ from theory and experiment
journal, March 2013

Experimental Verification of ${PbBi}_{2} {Te}_{4}$ as a 3D Topological Insulator
journal, May 2012

Spin-orbit coupling with ultrasoft pseudopotentials: Application to Au and Pt
journal, March 2005

Prediction of Weak Topological Insulators in Layered Semiconductors
journal, September 2012

Electronic structure, galvanomagnetic and magnetic properties of the bismuth subhalides Bi4I4 and Bi4Br4
journal, March 2007

Direct Evidence for the Dirac-Cone Topological Surface States in the Ternary Chalcogenide ${TlBiSe}_{2}$
journal, September 2010

Topological Surface States in Lead-Based Ternary Telluride $Pb ({Bi}_{1 - x} {Sb}_{x})_{2} {Te}_{4}$
journal, March 2012

Single Dirac Cone Topological Surface State and Unusual Thermoelectric Property of Compounds from a New Topological Insulator Family
journal, December 2010

Quasiparticle effects in the bulk and surface-state bands of Bi $_{2}$ Se $_{3}$ and Bi $_{2}$ Te $_{3}$ topological insulators
journal, April 2012

Stacked topological insulator built from bismuth-based graphene sheet analogues
journal, March 2013

A tunable topological insulator in the spin helical Dirac transport regime
journal, July 2009

Topological materials
journal, August 2012

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures
dataset, January 2019

wannier90: A tool for obtaining maximally-localised Wannier functions
dataset, January 2019

Oscillating edge states in one-dimensional MoS2 nanowires
journal, October 2016

Pressure-induced superconductivity and topological quantum phase transitions in a quasi-one-dimensional topological insulator: Bi4I4
journal, January 2018

A weak topological insulator state in quasi-one-dimensional bismuth iodide
journal, February 2019

Tuning the upconversion light emission by bandgap engineering in bismuth oxide-based upconverting nanoparticles
journal, January 2017

Pressure-induced phase transitions and superconductivity in a quasi–1-dimensional topological crystalline insulator α-Bi ₄ Br ₄
journal, August 2019

Purely rotational symmetry-protected topological crystalline insulator $\alpha$ -Bi 4 Br 4
journal, May 2019

First-principles study of high-pressure phase stability and superconductivity of ${Bi}_{4} I_{4}$
journal, December 2019

Self-organized pseudo-graphene on grain boundaries in topological band insulators
journal, June 2016

Aperiodic Weak Topological Superconductors
journal, June 2016

Proving Nontrivial Topology of Pure Bismuth by Quantum Confinement
journal, December 2016

Evidence for a Strong Topological Insulator Phase in ${ZrTe}_{5}$
journal, November 2016

Phase diagrams in materials science of topological insulators based on metal chalcogenides
journal, December 2017

High-Pressure Modification of BiI3
journal, December 2019

Self-organized pseudo-graphene on grain boundaries in topological band insulators
text, January 2015

Pressure-induced superconductivity and topological quantum phase transitions in a quasi-one-dimensional topological insulator: Bi4I4
preprint, January 2017

High-Pressure Modification of BiI3
journal, December 2019