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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 [Tl 2(C 6H 4) 3, Tl 2Ph 3] 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 Tl 2Ph 3 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.

Authors:
 [1]; ORCiD logo [1];  [2];  [1]
  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) (SC-22); 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. doi: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. doi: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 = {2018},
month = {1}
}

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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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