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Title: Robust Topological Nodal-Line Semimetals from Periodic Vacancies in Two-Dimensional Materials

Abstract

A nodal-line semimetal (NLSM) is suppressed in the presence of spin–orbit coupling unless it is protected by a nonsymmorphic symmetry. We show that two-dimensional (2D) materials can realize robust NLSMs when vacancies are introduced on the lattice. As a case study we investigate borophene, a boron honeycomb-like sheet. While the Dirac cones of pristine borophene are shown to be gapped out by spin–orbit coupling and by magnetic exchange, robust nodal lines (NLs) emerge in the spectrum when selected atoms are removed. We propose an effective 2D model and a symmetry analysis to demonstrate that these NLs are topological and protected by a nonsymmorphic glide plane. Finally, our findings offer a paradigm shift to the design of NLSMs: instead of searching for nonsymmorphic materials, robust NLSMs may be realized simply by removing atoms from ordinary symmorphic crystals.

Authors:
ORCiD logo [1];  [1];  [2];  [3]; ORCiD logo [3];  [1];  [1]
  1. Universidade de Brasília, Brasília-DF (Brazil)
  2. State Univ. of New York (SUNY), Buffalo, NY (United States)
  3. Shandong Univ., Jinan (China)
Publication Date:
Research Org.:
State Univ. of New York (SUNY), Buffalo, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); CAPES; CNPq; FAPDF
OSTI Identifier:
1831512
Grant/Contract Number:  
SC0004890
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Volume: 12; Journal Issue: 24; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Liu, F., Qu, F., Žutić, I., Xie, S., Liu, D., Fonseca, A. A., and Malard, M. Robust Topological Nodal-Line Semimetals from Periodic Vacancies in Two-Dimensional Materials. United States: N. p., 2021. Web. doi:10.1021/acs.jpclett.1c01249.
Liu, F., Qu, F., Žutić, I., Xie, S., Liu, D., Fonseca, A. A., & Malard, M. Robust Topological Nodal-Line Semimetals from Periodic Vacancies in Two-Dimensional Materials. United States. https://doi.org/10.1021/acs.jpclett.1c01249
Liu, F., Qu, F., Žutić, I., Xie, S., Liu, D., Fonseca, A. A., and Malard, M. Tue . "Robust Topological Nodal-Line Semimetals from Periodic Vacancies in Two-Dimensional Materials". United States. https://doi.org/10.1021/acs.jpclett.1c01249. https://www.osti.gov/servlets/purl/1831512.
@article{osti_1831512,
title = {Robust Topological Nodal-Line Semimetals from Periodic Vacancies in Two-Dimensional Materials},
author = {Liu, F. and Qu, F. and Žutić, I. and Xie, S. and Liu, D. and Fonseca, A. A. and Malard, M.},
abstractNote = {A nodal-line semimetal (NLSM) is suppressed in the presence of spin–orbit coupling unless it is protected by a nonsymmorphic symmetry. We show that two-dimensional (2D) materials can realize robust NLSMs when vacancies are introduced on the lattice. As a case study we investigate borophene, a boron honeycomb-like sheet. While the Dirac cones of pristine borophene are shown to be gapped out by spin–orbit coupling and by magnetic exchange, robust nodal lines (NLs) emerge in the spectrum when selected atoms are removed. We propose an effective 2D model and a symmetry analysis to demonstrate that these NLs are topological and protected by a nonsymmorphic glide plane. Finally, our findings offer a paradigm shift to the design of NLSMs: instead of searching for nonsymmorphic materials, robust NLSMs may be realized simply by removing atoms from ordinary symmorphic crystals.},
doi = {10.1021/acs.jpclett.1c01249},
journal = {Journal of Physical Chemistry Letters},
number = 24,
volume = 12,
place = {United States},
year = {Tue Jun 15 00:00:00 EDT 2021},
month = {Tue Jun 15 00:00:00 EDT 2021}
}

Works referenced in this record:

Topological semimetals
journal, October 2016


Spintronics: Fundamentals and applications
journal, April 2004


Realization of Symmetry-Enforced Two-Dimensional Dirac Fermions in Nonsymmorphic α-Bismuthene
journal, January 2020


Line-Node Dirac Semimetal and Topological Insulating Phase in Noncentrosymmetric Pnictides CaAg X ( X = P, As)
journal, January 2016

  • Yamakage, Ai; Yamakawa, Youichi; Tanaka, Yukio
  • Journal of the Physical Society of Japan, Vol. 85, Issue 1
  • DOI: 10.7566/JPSJ.85.013708

Evidence of topological superconductivity in planar Josephson junctions
journal, April 2019


Proximitized materials
journal, January 2019


Majorana qubits for topological quantum computing
journal, June 2020

  • Aguado, Ramón; Kouwenhoven, Leo P.
  • Physics Today, Vol. 73, Issue 6
  • DOI: 10.1063/PT.3.4499

Nodal-chain metals
journal, August 2016

  • Bzdušek, Tomáš; Wu, QuanSheng; Rüegg, Andreas
  • Nature, Vol. 538, Issue 7623
  • DOI: 10.1038/nature19099

Experimental realization of two-dimensional boron sheets
journal, March 2016

  • Feng, Baojie; Zhang, Jin; Zhong, Qing
  • Nature Chemistry, Vol. 8, Issue 6
  • DOI: 10.1038/nchem.2491

Z 2 and Chiral Anomalies in Topological Dirac Semimetals
journal, September 2016


An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions
journal, August 2014

  • Mostofi, Arash A.; Yates, Jonathan R.; Pizzi, Giovanni
  • Computer Physics Communications, Vol. 185, Issue 8
  • DOI: 10.1016/j.cpc.2014.05.003

Freestanding Borophene and Its Hybrids
journal, May 2019

  • Ranjan, Pranay; Sahu, Tumesh Kumar; Bhushan, Rebti
  • Advanced Materials, Vol. 31, Issue 27
  • DOI: 10.1002/adma.201900353

Unified Theory of P T and C P Invariant Topological Metals and Nodal Superconductors
journal, April 2016


Topology of crystalline insulators and superconductors
journal, October 2014


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

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Topological superconductivity in a phase-controlled Josephson junction
journal, April 2019


Novel Precursors for Boron Nanotubes: The Competition of Two-Center and Three-Center Bonding in Boron Sheets
journal, September 2007


Development of a Ni-Doped VAl 3 Topological Semimetal with a Significantly Enhanced HER Catalytic Performance
journal, April 2021

  • Kong, Xiang-Peng; Jiang, Tao; Gao, JiaoJiao
  • The Journal of Physical Chemistry Letters, Vol. 12, Issue 15
  • DOI: 10.1021/acs.jpclett.1c00238

Classification of reflection-symmetry-protected topological semimetals and nodal superconductors
journal, November 2014


Higher-Order Topology, Monopole Nodal Lines, and the Origin of Large Fermi Arcs in Transition Metal Dichalcogenides X Te 2 ( X = Mo , W )
journal, October 2019


Dirac Semimetals in Two Dimensions
journal, September 2015


Polymorphism of Two-Dimensional Boron
journal, April 2012

  • Penev, Evgeni S.; Bhowmick, Somnath; Sadrzadeh, Arta
  • Nano Letters, Vol. 12, Issue 5
  • DOI: 10.1021/nl3004754

Phase Signature of Topological Transition in Josephson Junctions
journal, January 2021


Temperature Dependence of Spin–Orbit Torques in Nearly Compensated Tb 21 Co 79 Films by a Topological Insulator Sb 2 Te 3
journal, March 2021


Topological Semimetal Nanostructures: From Properties to Topotronics
journal, April 2020


Topological response in Weyl semimetals and the chiral anomaly
journal, September 2012


Black phosphorus and its isoelectronic materials
journal, April 2019


Two-Dimensional Node-Line Semimetals in a Honeycomb-Kagome Lattice *
journal, May 2017


Crystal Growth and Magnetic Properties of Topological Nodal-Line Semimetal GdSbTe with Antiferromagnetic Spin Ordering
journal, August 2019


Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs
journal, December 2015


Effect of Confinement on the Exciton and Biexciton Dynamics in Perovskite 2D-Nanosheets and 3D-Nanocrystals
journal, July 2020

  • Shukla, Ayushi; Kaur, Gurpreet; Babu, K. Justice
  • The Journal of Physical Chemistry Letters, Vol. 11, Issue 15
  • DOI: 10.1021/acs.jpclett.0c01853

Borophene with Large Holes
journal, July 2020


Weyl Nodal Point–Line Fermion in Ferromagnetic Eu 5 Bi 3
journal, April 2019


d Orbital Topological Insulator and Semimetal in the Antifluorite Cu 2 S Family: Contrasting Spin Helicities, Nodal Box, and Hybrid Surface States
journal, July 2017


Dirac cone protected by non-symmorphic symmetry and three-dimensional Dirac line node in ZrSiS
journal, May 2016

  • Schoop, Leslie M.; Ali, Mazhar N.; Straßer, Carola
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms11696

Fabrication of Multilayer Borophene on Insulator Structure
journal, August 2016


Nonsymmorphic symmetry-required band crossings in topological semimetals
journal, November 2016


Origin of the Electron–Phonon Interaction of Topological Semimetal Surfaces Measured with Helium Atom Scattering
journal, February 2020

  • Benedek, Giorgio; Miret-Artés, Salvador; Manson, J. R.
  • The Journal of Physical Chemistry Letters, Vol. 11, Issue 5
  • DOI: 10.1021/acs.jpclett.9b03829

Extremely Large Magnetoresistance in a Topological Semimetal Candidate Pyrite PtBi 2
journal, June 2017


Topological semimetal and Fermi-arc surface states in the electronic structure of pyrochlore iridates
journal, May 2011