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:
-
- Univ. of Utah, Salt Lake City, UT (United States). Dept. of Materials Science and Engineering
- 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.
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
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.
@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}
}
Web of Science
Figures / Tables:
Works referenced in this record:
Fractional Quantum Hall States at Zero Magnetic Field
journal, June 2011
- Neupert, Titus; Santos, Luiz; Chamon, Claudio
- Physical Review Letters, Vol. 106, Issue 23
Substrate-mediated ordering and defect analysis of a surface covalent organic framework
journal, September 2011
- Ourdjini, Oualid; Pawlak, Rémy; Abel, Mathieu
- Physical Review B, Vol. 84, Issue 12
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
High-Temperature Fractional Quantum Hall States
journal, June 2011
- Tang, Evelyn; Mei, Jia-Wei; Wen, Xiao-Gang
- Physical Review Letters, Vol. 106, Issue 23
Nearly Flatbands with Nontrivial Topology
journal, June 2011
- Sun, Kai; Gu, Zhengcheng; Katsura, Hosho
- Physical Review Letters, Vol. 106, Issue 23
Topological insulators and superconductors
journal, October 2011
- Qi, Xiao-Liang; Zhang, Shou-Cheng
- Reviews of Modern Physics, Vol. 83, Issue 4
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
Flat Chern Band in a Two-Dimensional Organometallic Framework
journal, March 2013
- Liu, Zheng; Wang, Zheng-Fei; Mei, Jia-Wei
- Physical Review Letters, Vol. 110, Issue 10
Tunable topological states in electron-doped HTT-Pt
journal, April 2016
- Zhang, Xiaoming; Wang, Zhenhai; Zhao, Mingwen
- Physical Review B, Vol. 93, Issue 16
Ferromagnetism in the Hubbard model on line graphs and further considerations
journal, July 1991
- Mielke, A.
- Journal of Physics A: Mathematical and General, Vol. 24, Issue 14
Quantum Anomalous Hall Effect in 2D Organic Topological Insulators
journal, May 2013
- Wang, Z. F.; Liu, Zheng; Liu, Feng
- Physical Review Letters, Vol. 110, Issue 19
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
Colloquium: Topological insulators
journal, November 2010
- Hasan, M. Z.; Kane, C. L.
- Reviews of Modern Physics, Vol. 82, Issue 4, p. 3045-3067
First-principles design of a half-filled flat band of the kagome lattice in two-dimensional metal-organic frameworks
journal, August 2016
- Yamada, Masahiko G.; Soejima, Tomohiro; Tsuji, Naoto
- Physical Review B, Vol. 94, Issue 8
Two-Dimensional -Conjugated Covalent-Organic Frameworks as Quantum Anomalous Hall Topological Insulators
journal, February 2016
- Dong, Liang; Kim, Youngkuk; Er, Dequan
- Physical Review Letters, Vol. 116, Issue 9
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
Ferromagnetic ground states for the Hubbard model on line graphs
journal, January 1991
- Mielke, A.
- Journal of Physics A: Mathematical and General, Vol. 24, Issue 2
Transition-Metal Pentatelluride and : A Paradigm for Large-Gap Quantum Spin Hall Insulators
journal, January 2014
- Weng, Hongming; Dai, Xi; Fang, Zhong
- Physical Review X, Vol. 4, Issue 1
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
First Principles Calculation of Anomalous Hall Conductivity in Ferromagnetic bcc Fe
journal, January 2004
- Yao, Yugui; Kleinman, Leonard; MacDonald, A. H.
- Physical Review Letters, Vol. 92, Issue 3
Fractional Quantum Hall Effect of Hard-Core Bosons in Topological Flat Bands
journal, September 2011
- Wang, Yi-Fei; Gu, Zheng-Cheng; Gong, Chang-De
- Physical Review Letters, Vol. 107, Issue 14
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
Sign Changes of Intrinsic Spin Hall Effect in Semiconductors and Simple Metals: First-Principles Calculations
journal, October 2005
- Yao, Y.; Fang, Z.
- Physical Review Letters, Vol. 95, Issue 15
Large-Gap Quantum Spin Hall Insulators in Tin Films
journal, September 2013
- Xu, Yong; Yan, Binghai; Zhang, Hai-Jun
- Physical Review Letters, Vol. 111, Issue 13
Narrowing of Topological Bands due to Electronic Orbital Degrees of Freedom
journal, September 2011
- Venderbos, Jörn W. F.; Daghofer, Maria; van den Brink, Jeroen
- Physical Review Letters, Vol. 107, Issue 11
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
Robust half-metallicity and topological aspects in two-dimensional Cu-TPyB
journal, September 2015
- Zhang, Xiaoming; Zhao, Mingwen
- Scientific Reports, Vol. 5, Issue 1
Nobel Lecture: Random walk to graphene
journal, August 2011
- Geim, Andre K.
- Reviews of Modern Physics, Vol. 83, Issue 3
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
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
Nobel Lecture: Graphene: Materials in the Flatland
journal, August 2011
- Novoselov, K. S.
- Reviews of Modern Physics, Vol. 83, Issue 3
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
Functionalized germanene as a prototype of large-gap two-dimensional topological insulators
journal, March 2014
- Si, Chen; Liu, Junwei; Xu, Yong
- Physical Review B, Vol. 89, Issue 11
Organic topological insulators in organometallic lattices
journal, February 2013
- Wang, Z. F.; Liu, Zheng; Liu, Feng
- Nature Communications, Vol. 4, Issue 1
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
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
Nearly-flat bands with nontrivial topology
text, January 2010
- Sun, Kai; Gu, Zheng-Cheng; Katsura, Hosho
- arXiv
Fractional quantum Hall effect in the absence of Landau levels
text, January 2011
- Sheng, D. N.; Gu, Zheng-Cheng; Sun, Kai
- arXiv
Fractional Quantum Hall Effect of Hard-Core Bosons in Topological Flat Bands
text, January 2011
- Wang, Yi-Fei; Gu, Zheng-Cheng; Gong, Chang-De
- arXiv
Flat Chern Band in a Two-Dimensional Organometallic Framework
text, January 2012
- Liu, Zheng; Wang, Zheng-Fei; Mei, Jia-Wei
- arXiv
Tunable Topological States in Electron-Doped HTT-Pt
text, January 2015
- Zhang, Xiaoming; Zhao, Mingwen; Liu, Feng
- arXiv
First-Principles Design of a Half-Filled Flat Band of the Kagome Lattice in Two-Dimensional Metal-Organic Frameworks
text, January 2015
- Yamada, Masahiko G.; Soejima, Tomohiro; Tsuji, Naoto
- arXiv
First Principles Calculation of Anomalous Hall Conductivity in Ferromagnetic bcc Fe
text, January 2003
- Yao, Yugui; Kleinman, L.; MacDonald, A. H.
- arXiv
Sign Changes of Intrinsic Spin Hall Effect in Semiconductors and Simple Metals: First-Principles Calculations
text, January 2005
- Yao, Y.; Fang, Z.
- arXiv
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
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
Staggered potential and magnetic field tunable electronic switch in a kagome nanoribbon junction
journal, May 2019
- Zhang, Lin; Tong, Peiqing
- Journal of Physics: Condensed Matter, Vol. 31, Issue 30
Nonlinear optical response of the model due to the nontrivial topology of the band dispersion
journal, July 2019
- Chen, Lei; Zuber, Jack; Ma, Zhongshui
- Physical Review B, Vol. 100, Issue 3
Hidden mechanism for embedding the flat bands of Lieb, kagome, and checkerboard lattices in other structures
journal, July 2019
- Lee, Chi-Cheng; Fleurence, Antoine; Yamada-Takamura, Yukiko
- Physical Review B, Vol. 100, Issue 4
Flat bands and nontrivial topological properties in an extended Lieb lattice
journal, December 2019
- Bhattacharya, Ankita; Pal, Biplab
- Physical Review B, Vol. 100, Issue 23
Enhanced magneto-optical response due to the flat band in nanoribbons made from the lattice
journal, January 2019
- Chen, Yan-Ru; Xu, Yong; Wang, Jun
- Physical Review B, Vol. 99, Issue 4
Methods for the construction of interacting many-body Hamiltonians with compact localized states in geometrically frustrated clusters
journal, March 2020
- Santos, F. D. R.; Dias, R. G.
- Scientific Reports, Vol. 10, Issue 1
Figures / Tables found in this record: