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

Su, Ninghai; Jiang, Wei; Wang, Zhengfei; Liu, Feng

doi:10.1063/1.5017956

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

Journal Article · Thu Jan 18 00:00:00 EST 2018 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.5017956· OSTI ID:1510949

Su, Ninghai ^[1];

^[1]; Wang, Zhengfei ^[2]; Liu, Feng ^[1]

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

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 p_x,y orbitals of Tl on the honeycomb lattice form ideal p_xy 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.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Univ. of Utah, Salt Lake City, UT (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: FG02-04ER46148; DMR-1121252

OSTI ID:: 1510949

Alternate ID(s):: OSTI ID: 1417421

Journal Information:: Applied Physics Letters, Vol. 112, Issue 3; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 31 works

Citation information provided by
Web of Science

References (44)

Fractional Quantum Hall States at Zero Magnetic Field Neupert, Titus; Santos, Luiz; Chamon, Claudio Physical Review Letters, Vol. 106, Issue 23 https://doi.org/10.1103/PhysRevLett.106.236804	journal	June 2011
Substrate-mediated ordering and defect analysis of a surface covalent organic framework Ourdjini, Oualid; Pawlak, Rémy; Abel, Mathieu Physical Review B, Vol. 84, Issue 12 https://doi.org/10.1103/PhysRevB.84.125421	journal	September 2011
Redox Control and High Conductivity of Nickel Bis(dithiolene) Complex π-Nanosheet: A Potential Organic Two-Dimensional Topological Insulator Kambe, Tetsuya; Sakamoto, Ryota; Kusamoto, Tetsuro Journal of the American Chemical Society, Vol. 136, Issue 41 https://doi.org/10.1021/ja507619d	journal	October 2014
High-Temperature Fractional Quantum Hall States Tang, Evelyn; Mei, Jia-Wei; Wen, Xiao-Gang Physical Review Letters, Vol. 106, Issue 23 https://doi.org/10.1103/PhysRevLett.106.236802	journal	June 2011
Nearly Flatbands with Nontrivial Topology Sun, Kai; Gu, Zhengcheng; Katsura, Hosho Physical Review Letters, Vol. 106, Issue 23 https://doi.org/10.1103/PhysRevLett.106.236803	journal	June 2011
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
Spin-polarized Dirac cones and topological nontriviality in a metal–organic framework Ni ₂ C ₂₄ S ₆ H ₁₂ Wei, Lin; Zhang, Xiaoming; Zhao, Mingwen Physical Chemistry Chemical Physics, Vol. 18, Issue 11 https://doi.org/10.1039/C6CP00368K	journal	January 2016
Flat Chern Band in a Two-Dimensional Organometallic Framework Liu, Zheng; Wang, Zheng-Fei; Mei, Jia-Wei Physical Review Letters, Vol. 110, Issue 10 https://doi.org/10.1103/PhysRevLett.110.106804	journal	March 2013
Tunable topological states in electron-doped HTT-Pt Zhang, Xiaoming; Wang, Zhenhai; Zhao, Mingwen Physical Review B, Vol. 93, Issue 16 https://doi.org/10.1103/PhysRevB.93.165401	journal	April 2016
Ferromagnetism in the Hubbard model on line graphs and further considerations Mielke, A. Journal of Physics A: Mathematical and General, Vol. 24, Issue 14 https://doi.org/10.1088/0305-4470/24/14/018	journal	July 1991
Quantum Anomalous Hall Effect in 2D Organic Topological Insulators Wang, Z. F.; Liu, Zheng; Liu, Feng Physical Review Letters, Vol. 110, Issue 19 https://doi.org/10.1103/PhysRevLett.110.196801	journal	May 2013
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
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
First-principles design of a half-filled flat band of the kagome lattice in two-dimensional metal-organic frameworks Yamada, Masahiko G.; Soejima, Tomohiro; Tsuji, Naoto Physical Review B, Vol. 94, Issue 8 https://doi.org/10.1103/PhysRevB.94.081102	journal	August 2016
Two-Dimensional $π$ -Conjugated Covalent-Organic Frameworks as Quantum Anomalous Hall Topological Insulators Dong, Liang; Kim, Youngkuk; Er, Dequan Physical Review Letters, Vol. 116, Issue 9 https://doi.org/10.1103/PhysRevLett.116.096601	journal	February 2016
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
Ferromagnetic ground states for the Hubbard model on line graphs Mielke, A. Journal of Physics A: Mathematical and General, Vol. 24, Issue 2 https://doi.org/10.1088/0305-4470/24/2/005	journal	January 1991
Transition-Metal Pentatelluride $ZrTe_{5}$ and $HfTe_{5}$ : A Paradigm for Large-Gap Quantum Spin Hall Insulators Weng, Hongming; Dai, Xi; Fang, Zhong Physical Review X, Vol. 4, Issue 1 https://doi.org/10.1103/PhysRevX.4.011002	journal	January 2014
Computational design of two-dimensional topological materials: Two-dimensional topological materials Wang, Z. F.; Jin, Kyung-Hwan; Liu, Feng Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 7, Issue 4 https://doi.org/10.1002/wcms.1304	journal	March 2017
First Principles Calculation of Anomalous Hall Conductivity in Ferromagnetic bcc Fe Yao, Yugui; Kleinman, Leonard; MacDonald, A. H. Physical Review Letters, Vol. 92, Issue 3 https://doi.org/10.1103/PhysRevLett.92.037204	journal	January 2004
Fractional Quantum Hall Effect of Hard-Core Bosons in Topological Flat Bands Wang, Yi-Fei; Gu, Zheng-Cheng; Gong, Chang-De Physical Review Letters, Vol. 107, Issue 14 https://doi.org/10.1103/PhysRevLett.107.146803	journal	September 2011
Oxidation-promoted Interfacial Synthesis of Redox-active Bis(diimino)nickel Nanosheet Phua, Eunice J. H.; Wu, Kuo-Hui; Wada, Keisuke Chemistry Letters, Vol. 47, Issue 2 https://doi.org/10.1246/cl.170928	journal	February 2018
Sign Changes of Intrinsic Spin Hall Effect in Semiconductors and Simple Metals: First-Principles Calculations Yao, Y.; Fang, Z. Physical Review Letters, Vol. 95, Issue 15 https://doi.org/10.1103/PhysRevLett.95.156601	journal	October 2005
Large-Gap Quantum Spin Hall Insulators in Tin Films Xu, Yong; Yan, Binghai; Zhang, Hai-Jun Physical Review Letters, Vol. 111, Issue 13 https://doi.org/10.1103/PhysRevLett.111.136804	journal	September 2013
Narrowing of Topological Bands due to Electronic Orbital Degrees of Freedom Venderbos, Jörn W. F.; Daghofer, Maria; van den Brink, Jeroen Physical Review Letters, Vol. 107, Issue 11 https://doi.org/10.1103/PhysRevLett.107.116401	journal	September 2011
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Robust half-metallicity and topological aspects in two-dimensional Cu-TPyB Zhang, Xiaoming; Zhao, Mingwen Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep14098	journal	September 2015
Nobel Lecture: Random walk to graphene Geim, Andre K. Reviews of Modern Physics, Vol. 83, Issue 3 https://doi.org/10.1103/RevModPhys.83.851	journal	August 2011
Organized Formation of 2D Extended Covalent Organic Frameworks at Surfaces Zwaneveld, Nikolas A. A.; Pawlak, Rémy; Abel, Mathieu Journal of the American Chemical Society, Vol. 130, Issue 21 https://doi.org/10.1021/ja800906f	journal	May 2008
Prediction of a Two-Dimensional Organic Topological Insulator Wang, Z. F.; Su, Ninghai; Liu, Feng Nano Letters, Vol. 13, Issue 6, p. 2842-2845 https://doi.org/10.1021/nl401147u	journal	May 2013
Nobel Lecture: Graphene: Materials in the Flatland Novoselov, K. S. Reviews of Modern Physics, Vol. 83, Issue 3 https://doi.org/10.1103/RevModPhys.83.837	journal	August 2011
Bis(aminothiolato)nickel nanosheet as a redox switch for conductivity and an electrocatalyst for the hydrogen evolution reaction Sun, Xinsen; Wu, Kuo-Hui; Sakamoto, Ryota Chemical Science, Vol. 8, Issue 12 https://doi.org/10.1039/C7SC02688A	journal	January 2017
Functionalized germanene as a prototype of large-gap two-dimensional topological insulators Si, Chen; Liu, Junwei; Xu, Yong Physical Review B, Vol. 89, Issue 11 https://doi.org/10.1103/PhysRevB.89.115429	journal	March 2014
Organic topological insulators in organometallic lattices Wang, Z. F.; Liu, Zheng; Liu, Feng Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms2451	journal	February 2013
Highly convergent schemes for the calculation of bulk and surface Green functions Sancho, M. P. Lopez; Sancho, J. M. Lopez; Sancho, J. M. L. Journal of Physics F: Metal Physics, Vol. 15, Issue 4 https://doi.org/10.1088/0305-4608/15/4/009	journal	April 1985
Fractional quantum Hall effect in the absence of Landau levels Sheng, D. N.; Gu, Zheng-Cheng; Sun, Kai Nature Communications, Vol. 2, Issue 1 https://doi.org/10.1038/ncomms1380	journal	July 2011
Nearly-flat bands with nontrivial topology Sun, Kai; Gu, Zheng-Cheng; Katsura, Hosho arXiv https://doi.org/10.48550/arxiv.1012.5864	text	January 2010
Fractional quantum Hall effect in the absence of Landau levels Sheng, D. N.; Gu, Zheng-Cheng; Sun, Kai arXiv https://doi.org/10.48550/arxiv.1102.2658	text	January 2011
Fractional Quantum Hall Effect of Hard-Core Bosons in Topological Flat Bands Wang, Yi-Fei; Gu, Zheng-Cheng; Gong, Chang-De arXiv https://doi.org/10.48550/arxiv.1103.1686	text	January 2011
Flat Chern Band in a Two-Dimensional Organometallic Framework Liu, Zheng; Wang, Zheng-Fei; Mei, Jia-Wei arXiv https://doi.org/10.48550/arxiv.1210.1826	text	January 2012
Tunable Topological States in Electron-Doped HTT-Pt Zhang, Xiaoming; Zhao, Mingwen; Liu, Feng arXiv https://doi.org/10.48550/arxiv.1509.06843	text	January 2015
First-Principles Design of a Half-Filled Flat Band of the Kagome Lattice in Two-Dimensional Metal-Organic Frameworks Yamada, Masahiko G.; Soejima, Tomohiro; Tsuji, Naoto arXiv https://doi.org/10.48550/arxiv.1510.00164	text	January 2015
First Principles Calculation of Anomalous Hall Conductivity in Ferromagnetic bcc Fe Yao, Yugui; Kleinman, L.; MacDonald, A. H. arXiv https://doi.org/10.48550/arxiv.cond-mat/0307337	text	January 2003
Sign Changes of Intrinsic Spin Hall Effect in Semiconductors and Simple Metals: First-Principles Calculations Yao, Y.; Fang, Z. arXiv https://doi.org/10.48550/arxiv.cond-mat/0502351	text	January 2005

Cited By (8)

Metal–Organic Frameworks in Modern Physics: Highlights and Perspectives Mezenov, Yuri A.; Krasilin, Andrei A.; Dzyuba, Vladimir P. Advanced Science, Vol. 6, Issue 17 https://doi.org/10.1002/advs.201900506	journal	July 2019
Prediction of two-dimensional organic topological insulator in metal-DCB lattices Hsu, Chia-Hsiu; Huang, Zhi-Quan; Macam, Gennevieve M. Applied Physics Letters, Vol. 113, Issue 23 https://doi.org/10.1063/1.5064610	journal	December 2018
Staggered potential and magnetic field tunable electronic switch in a kagome nanoribbon junction Zhang, Lin; Tong, Peiqing Journal of Physics: Condensed Matter, Vol. 31, Issue 30 https://doi.org/10.1088/1361-648x/ab1c9a	journal	May 2019
Nonlinear optical response of the $α − T_{3}$ model due to the nontrivial topology of the band dispersion Chen, Lei; Zuber, Jack; Ma, Zhongshui Physical Review B, Vol. 100, Issue 3 https://doi.org/10.1103/physrevb.100.035440	journal	July 2019
Hidden mechanism for embedding the flat bands of Lieb, kagome, and checkerboard lattices in other structures Lee, Chi-Cheng; Fleurence, Antoine; Yamada-Takamura, Yukiko Physical Review B, Vol. 100, Issue 4 https://doi.org/10.1103/physrevb.100.045150	journal	July 2019
Flat bands and nontrivial topological properties in an extended Lieb lattice Bhattacharya, Ankita; Pal, Biplab Physical Review B, Vol. 100, Issue 23 https://doi.org/10.1103/physrevb.100.235145	journal	December 2019
Enhanced magneto-optical response due to the flat band in nanoribbons made from the $α - T_{3}$ lattice Chen, Yan-Ru; Xu, Yong; Wang, Jun Physical Review B, Vol. 99, Issue 4 https://doi.org/10.1103/physrevb.99.045420	journal	January 2019
Methods for the construction of interacting many-body Hamiltonians with compact localized states in geometrically frustrated clusters Santos, F. D. R.; Dias, R. G. Scientific Reports, Vol. 10, Issue 1 https://doi.org/10.1038/s41598-020-60975-7	journal	March 2020

Figures / Tables (5)

Similar Records

Orbital Chern Insulator and Quantum Phase Diagram of a Kagome Electron System with Half-Filled Flat Bands

Journal Article · Thu Mar 18 00:00:00 EDT 2021 · Physical Review Letters · OSTI ID:1510949

Ren, Yafei; Jiang, Hong-Chen; Qiao, Zhenhua; +1 more

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

Journal Article · Mon Aug 08 00:00:00 EDT 2016 · Physical Review. B · OSTI ID:1510949

Yamada, Masahiko G.; Soejima, Tomohiro; Tsuji, Naoto; +3 more

Orbital design of flat bands in non-line-graph lattices via line-graph wave functions

Journal Article · Thu Feb 17 00:00:00 EST 2022 · Physical Review. B · OSTI ID:1510949

Liu, Hang; Sethi, Gurjyot; Meng, Sheng; +1 more

Related Subjects

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