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Title: Prediction of large gap flat Chern band in a two-dimensional metal-organic framework

Abstract

Systems with a flat Chern band have been extensively studied for their potential to realize high-temperature fractional quantum Hall states. To experimentally observe the quantum transport properties, a sizable topological gap is highly necessary. Taking advantage of the high tunability of two-dimensional (2D) metal-organic frameworks (MOFs), whose crystal structures can be easily tuned using different metal atoms and molecular ligands, we propose a design of a 2D MOF [Tl2(C6H4)3, Tl2Ph3] showing nontrivial topological states with an extremely large gap in both the nearly flat Chern band and the Dirac bands. By coordinating π-conjugated thallium ions and benzene rings, crystalline Tl2Ph3 can be formed with Tl and Ph constructing honeycomb and kagome lattices, respectively. The px,y orbitals of Tl on the honeycomb lattice form ideal pxy four-bands, through which a flat Chern band with a spin-orbit coupling (SOC) gap around 140 meV evolves below the Fermi level. This is the largest SOC gap among all the theoretically proposed organic topological insulators so far.

Authors:
 [1]; ORCiD logo [1];  [2];  [1]
+ Show Author Affiliations
  1. Univ. of Utah, Salt Lake City, UT (United States). Dept. of Materials Science and Engineering
  2. Univ. of Science and Technology of China, Hefei (China). Hefei National Lab. for Physical Sciences at the Microscale
Publication Date:
Research Org.:
Univ. of Utah, Salt Lake City, UT (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
OSTI Identifier:
1510949
Alternate Identifier(s):
OSTI ID: 1417421
Grant/Contract Number:  
FG02-04ER46148; DMR-1121252
Resource Type:
Accepted Manuscript
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 112; Journal Issue: 3; Journal ID: ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; quantum Hall effect; ligands; crystal lattices; spin-orbit interactions; chemical elements; kagome lattices; heterocyclic compounds; crystalline solids; transport properties; topological insulator

Citation Formats

Su, Ninghai, Jiang, Wei, Wang, Zhengfei, and Liu, Feng. Prediction of large gap flat Chern band in a two-dimensional metal-organic framework. United States: N. p., 2018. Web. doi:10.1063/1.5017956.
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Su, Ninghai, Jiang, Wei, Wang, Zhengfei, & Liu, Feng. Prediction of large gap flat Chern band in a two-dimensional metal-organic framework. United States. https://doi.org/10.1063/1.5017956
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Su, Ninghai, Jiang, Wei, Wang, Zhengfei, and Liu, Feng. Thu . "Prediction of large gap flat Chern band in a two-dimensional metal-organic framework". United States. https://doi.org/10.1063/1.5017956. https://www.osti.gov/servlets/purl/1510949.
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@article{osti_1510949,
title = {Prediction of large gap flat Chern band in a two-dimensional metal-organic framework},
author = {Su, Ninghai and Jiang, Wei and Wang, Zhengfei and Liu, Feng},
abstractNote = {Systems with a flat Chern band have been extensively studied for their potential to realize high-temperature fractional quantum Hall states. To experimentally observe the quantum transport properties, a sizable topological gap is highly necessary. Taking advantage of the high tunability of two-dimensional (2D) metal-organic frameworks (MOFs), whose crystal structures can be easily tuned using different metal atoms and molecular ligands, we propose a design of a 2D MOF [Tl2(C6H4)3, Tl2Ph3] showing nontrivial topological states with an extremely large gap in both the nearly flat Chern band and the Dirac bands. By coordinating π-conjugated thallium ions and benzene rings, crystalline Tl2Ph3 can be formed with Tl and Ph constructing honeycomb and kagome lattices, respectively. The px,y orbitals of Tl on the honeycomb lattice form ideal pxy four-bands, through which a flat Chern band with a spin-orbit coupling (SOC) gap around 140 meV evolves below the Fermi level. This is the largest SOC gap among all the theoretically proposed organic topological insulators so far.},
doi = {10.1063/1.5017956},
journal = {Applied Physics Letters},
number = 3,
volume = 112,
place = {United States},
year = {Thu Jan 18 00:00:00 EST 2018},
month = {Thu Jan 18 00:00:00 EST 2018}
}
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Journal Article:
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Publisher's Version of Record
https://doi.org/10.1063/1.5017956
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Cited by: 31 works
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Figures / Tables:

FIG. 1 FIG. 1: Atomic structure of the Tl2Ph3 lattice. The dashed orange lines denote the unit cell.
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Works referenced in this record:

Fractional Quantum Hall States at Zero Magnetic Field
journal, June 2011

Substrate-mediated ordering and defect analysis of a surface covalent organic framework
journal, September 2011

Redox Control and High Conductivity of Nickel Bis(dithiolene) Complex π-Nanosheet: A Potential Organic Two-Dimensional Topological Insulator
journal, October 2014

  • Kambe, Tetsuya; Sakamoto, Ryota; Kusamoto, Tetsuro
  • Journal of the American Chemical Society, Vol. 136, Issue 41
  • DOI: 10.1021/ja507619d

High-Temperature Fractional Quantum Hall States
journal, June 2011

Nearly Flatbands with Nontrivial Topology
journal, June 2011

Topological insulators and superconductors
journal, October 2011

Spin-polarized Dirac cones and topological nontriviality in a metal–organic framework Ni 2 C 24 S 6 H 12
journal, January 2016

  • Wei, Lin; Zhang, Xiaoming; Zhao, Mingwen
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 11
  • DOI: 10.1039/C6CP00368K

Flat Chern Band in a Two-Dimensional Organometallic Framework
journal, March 2013

Tunable topological states in electron-doped HTT-Pt
journal, April 2016

Ferromagnetism in the Hubbard model on line graphs and further considerations
journal, July 1991

Quantum Anomalous Hall Effect in 2D Organic Topological Insulators
journal, May 2013

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

  • Mostofi, Arash A.; Yates, Jonathan R.; Lee, Young-Su
  • Computer Physics Communications, Vol. 178, Issue 9
  • DOI: 10.1016/j.cpc.2007.11.016

Colloquium: Topological insulators
journal, November 2010

First-principles design of a half-filled flat band of the kagome lattice in two-dimensional metal-organic frameworks
journal, August 2016

Two-Dimensional π -Conjugated Covalent-Organic Frameworks as Quantum Anomalous Hall Topological Insulators
journal, February 2016

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

  • Xia, Y.; Qian, D.; Hsieh, D.
  • Nature Physics, Vol. 5, Issue 6, p. 398-402
  • DOI: 10.1038/nphys1274

Ferromagnetic ground states for the Hubbard model on line graphs
journal, January 1991

Transition-Metal Pentatelluride ZrTe 5 and HfTe 5 : A Paradigm for Large-Gap Quantum Spin Hall Insulators
journal, January 2014

Computational design of two-dimensional topological materials: Two-dimensional topological materials
journal, March 2017

  • Wang, Z. F.; Jin, Kyung-Hwan; Liu, Feng
  • Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 7, Issue 4
  • DOI: 10.1002/wcms.1304

First Principles Calculation of Anomalous Hall Conductivity in Ferromagnetic bcc Fe
journal, January 2004

Fractional Quantum Hall Effect of Hard-Core Bosons in Topological Flat Bands
journal, September 2011

Oxidation-promoted Interfacial Synthesis of Redox-active Bis(diimino)nickel Nanosheet
journal, February 2018

  • Phua, Eunice J. H.; Wu, Kuo-Hui; Wada, Keisuke
  • Chemistry Letters, Vol. 47, Issue 2
  • DOI: 10.1246/cl.170928

Sign Changes of Intrinsic Spin Hall Effect in Semiconductors and Simple Metals: First-Principles Calculations
journal, October 2005

Large-Gap Quantum Spin Hall Insulators in Tin Films
journal, September 2013

Narrowing of Topological Bands due to Electronic Orbital Degrees of Freedom
journal, September 2011

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Robust half-metallicity and topological aspects in two-dimensional Cu-TPyB
journal, September 2015

  • Zhang, Xiaoming; Zhao, Mingwen
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep14098

Nobel Lecture: Random walk to graphene
journal, August 2011

Organized Formation of 2D Extended Covalent Organic Frameworks at Surfaces
journal, May 2008

  • Zwaneveld, Nikolas A. A.; Pawlak, Rémy; Abel, Mathieu
  • Journal of the American Chemical Society, Vol. 130, Issue 21
  • DOI: 10.1021/ja800906f

Prediction of a Two-Dimensional Organic Topological Insulator
journal, May 2013

  • Wang, Z. F.; Su, Ninghai; Liu, Feng
  • Nano Letters, Vol. 13, Issue 6, p. 2842-2845
  • DOI: 10.1021/nl401147u

Nobel Lecture: Graphene: Materials in the Flatland
journal, August 2011

Bis(aminothiolato)nickel nanosheet as a redox switch for conductivity and an electrocatalyst for the hydrogen evolution reaction
journal, January 2017

  • Sun, Xinsen; Wu, Kuo-Hui; Sakamoto, Ryota
  • Chemical Science, Vol. 8, Issue 12
  • DOI: 10.1039/C7SC02688A

Functionalized germanene as a prototype of large-gap two-dimensional topological insulators
journal, March 2014

Organic topological insulators in organometallic lattices
journal, February 2013

  • Wang, Z. F.; Liu, Zheng; Liu, Feng
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms2451

Highly convergent schemes for the calculation of bulk and surface Green functions
journal, April 1985

  • Sancho, M. P. Lopez; Sancho, J. M. Lopez; Sancho, J. M. L.
  • Journal of Physics F: Metal Physics, Vol. 15, Issue 4
  • DOI: 10.1088/0305-4608/15/4/009

Fractional quantum Hall effect in the absence of Landau levels
journal, July 2011

  • Sheng, D. N.; Gu, Zheng-Cheng; Sun, Kai
  • Nature Communications, Vol. 2, Issue 1
  • DOI: 10.1038/ncomms1380

Nearly-flat bands with nontrivial topology
text, January 2010

Fractional quantum Hall effect in the absence of Landau levels
text, January 2011

Fractional Quantum Hall Effect of Hard-Core Bosons in Topological Flat Bands
text, January 2011

Flat Chern Band in a Two-Dimensional Organometallic Framework
text, January 2012

Tunable Topological States in Electron-Doped HTT-Pt
text, January 2015

First Principles Calculation of Anomalous Hall Conductivity in Ferromagnetic bcc Fe
text, January 2003

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    Works referencing / citing this record:

    Metal–Organic Frameworks in Modern Physics: Highlights and Perspectives
    journal, July 2019

    • Mezenov, Yuri A.; Krasilin, Andrei A.; Dzyuba, Vladimir P.
    • Advanced Science, Vol. 6, Issue 17
    • DOI: 10.1002/advs.201900506

    Prediction of two-dimensional organic topological insulator in metal-DCB lattices
    journal, December 2018

    • Hsu, Chia-Hsiu; Huang, Zhi-Quan; Macam, Gennevieve M.
    • Applied Physics Letters, Vol. 113, Issue 23
    • DOI: 10.1063/1.5064610

    Staggered potential and magnetic field tunable electronic switch in a kagome nanoribbon junction
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    Nonlinear optical response of the α − T 3 model due to the nontrivial topology of the band dispersion
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    Hidden mechanism for embedding the flat bands of Lieb, kagome, and checkerboard lattices in other structures
    journal, July 2019

    Flat bands and nontrivial topological properties in an extended Lieb lattice
    journal, December 2019

    Enhanced magneto-optical response due to the flat band in nanoribbons made from the α − T 3 lattice
    journal, January 2019

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