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Title: Topological Phases in Graphene Nanoribbons: Junction States, Spin Centers, and Quantum Spin Chains

Abstract

We show that semiconducting graphene nanoribbons (GNRs) of different width, edge, and end termination (synthesizable from molecular precursors with atomic precision) belong to different electronic topological classes. The topological phase of GNRs is protected by spatial symmetries and dictated by the terminating unit cell. We have derived explicit formulas for their topological invariants and shown that localized junction states developed between two GNRs of distinct topology may be tuned by lateral junction geometry. The topology of a GNR can be further modified by dopants, such as a periodic array of boron atoms. In a superlattice consisting of segments of doped and pristine GNRs, the junction states are stable spin centers, forming a Heisenberg antiferromagnetic spin 1/2 chain with tunable exchange interaction. Furthermore, the discoveries here not only are of scientific interest for studies of quasi-one-dimensional systems, but also open a new path for design principles of future GNR-based devices through their topological characters.

Authors:
 [1];  [1];  [1]
  1. Univ. of California, Berkeley, CA (United States). Dept. of Physics; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1544373
Alternate Identifier(s):
OSTI ID: 1375501
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 119; Journal Issue: 7; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats

Cao, Ting, Zhao, Fangzhou, and Louie, Steven G. Topological Phases in Graphene Nanoribbons: Junction States, Spin Centers, and Quantum Spin Chains. United States: N. p., 2017. Web. doi:10.1103/PhysRevLett.119.076401.
Cao, Ting, Zhao, Fangzhou, & Louie, Steven G. Topological Phases in Graphene Nanoribbons: Junction States, Spin Centers, and Quantum Spin Chains. United States. https://doi.org/10.1103/PhysRevLett.119.076401
Cao, Ting, Zhao, Fangzhou, and Louie, Steven G. Wed . "Topological Phases in Graphene Nanoribbons: Junction States, Spin Centers, and Quantum Spin Chains". United States. https://doi.org/10.1103/PhysRevLett.119.076401. https://www.osti.gov/servlets/purl/1544373.
@article{osti_1544373,
title = {Topological Phases in Graphene Nanoribbons: Junction States, Spin Centers, and Quantum Spin Chains},
author = {Cao, Ting and Zhao, Fangzhou and Louie, Steven G.},
abstractNote = {We show that semiconducting graphene nanoribbons (GNRs) of different width, edge, and end termination (synthesizable from molecular precursors with atomic precision) belong to different electronic topological classes. The topological phase of GNRs is protected by spatial symmetries and dictated by the terminating unit cell. We have derived explicit formulas for their topological invariants and shown that localized junction states developed between two GNRs of distinct topology may be tuned by lateral junction geometry. The topology of a GNR can be further modified by dopants, such as a periodic array of boron atoms. In a superlattice consisting of segments of doped and pristine GNRs, the junction states are stable spin centers, forming a Heisenberg antiferromagnetic spin 1/2 chain with tunable exchange interaction. Furthermore, the discoveries here not only are of scientific interest for studies of quasi-one-dimensional systems, but also open a new path for design principles of future GNR-based devices through their topological characters.},
doi = {10.1103/PhysRevLett.119.076401},
journal = {Physical Review Letters},
number = 7,
volume = 119,
place = {United States},
year = {Wed Aug 16 00:00:00 EDT 2017},
month = {Wed Aug 16 00:00:00 EDT 2017}
}

Journal Article:

Citation Metrics:
Cited by: 135 works
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Figures / Tables:

Table. 1 Table. 1: Categorization of topology of armchair graphene nanoribbons (AGNRs). The nanoribbons are identified according the type of termination (labelled in first row) and width. Schematics of AGNR structure with different termination types is defined and plotted in the second row. The bracket denotes a specific termination of an infinitelymore » long AGNR. The row number for the carbon atoms along the lateral direction are labelled from “1” to “N”. The bulk unit cell of each structure that is commensurate with the termination is indicated by the dashed red rectangle. The bulk symmetry is indicated in the third row. The value of the Z2 invariant is given in the fourth row. The floor function ⌊𝑥⌋ takes the largest integer less than or equal to a real number 𝑥.« less

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Works referenced in this record:

Energy Gaps in Graphene Nanoribbons
journal, November 2006


New Method for High-Accuracy Determination of the Fine-Structure Constant Based on Quantized Hall Resistance
journal, August 1980


Topological insulators and superconductors
journal, October 2011


Bulk-boundary correspondence from the intercellular Zak phase
journal, January 2017


On-surface synthesis of graphene nanoribbons with zigzag edge topology
journal, March 2016

  • Ruffieux, Pascal; Wang, Shiyong; Yang, Bo
  • Nature, Vol. 531, Issue 7595
  • DOI: 10.1038/nature17151

Synthesis of structurally well-defined and liquid-phase-processable graphene nanoribbons
journal, December 2013

  • Narita, Akimitsu; Feng, Xinliang; Hernandez, Yenny
  • Nature Chemistry, Vol. 6, Issue 2
  • DOI: 10.1038/nchem.1819

Quantized Hall Conductance in a Two-Dimensional Periodic Potential
journal, August 1982


Self-consistent pseudopotential method for localized configurations: Molecules
journal, December 1975

  • Cohen, Marvin L.; Schlüter, M.; Chelikowsky, James R.
  • Physical Review B, Vol. 12, Issue 12
  • DOI: 10.1103/PhysRevB.12.5575

Topological insulators with inversion symmetry
journal, July 2007


BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures
journal, June 2012

  • Deslippe, Jack; Samsonidze, Georgy; Strubbe, David A.
  • Computer Physics Communications, Vol. 183, Issue 6
  • DOI: 10.1016/j.cpc.2011.12.006

Solitons with fermion number ½
journal, June 1976


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

Colloquium: Topological insulators
journal, November 2010


Atomically precise bottom-up fabrication of graphene nanoribbons
journal, July 2010

  • Cai, Jinming; Ruffieux, Pascal; Jaafar, Rached
  • Nature, Vol. 466, Issue 7305
  • DOI: 10.1038/nature09211

Berry’s phase for energy bands in solids
journal, June 1989


Graphene nanoribbon heterojunctions
journal, September 2014

  • Cai, Jinming; Pignedoli, Carlo A.; Talirz, Leopold
  • Nature Nanotechnology, Vol. 9, Issue 11
  • DOI: 10.1038/nnano.2014.184

Spatially resolving edge states of chiral graphene nanoribbons
journal, May 2011

  • Tao, Chenggang; Jiao, Liying; Yazyev, Oleg V.
  • Nature Physics, Vol. 7, Issue 8
  • DOI: 10.1038/nphys1991

Quasiparticle Energies and Band Gaps in Graphene Nanoribbons
journal, November 2007


Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies
journal, October 1986


Ordering, metastability and phase transitions in two-dimensional systems
journal, April 1973

  • Kosterlitz, J M; Thouless, D J
  • Journal of Physics C: Solid State Physics, Vol. 6, Issue 7, p. 1181-1203
  • DOI: 10.1088/0022-3719/6/7/010

Molecular bandgap engineering of bottom-up synthesized graphene nanoribbon heterojunctions
journal, January 2015


A roadmap for graphene
journal, October 2012

  • Novoselov, K. S.; Fal′ko, V. I.; Colombo, L.
  • Nature, Vol. 490, Issue 7419
  • DOI: 10.1038/nature11458

Zur Theorie der Metalle: I. Eigenwerte und Eigenfunktionen der linearen Atomkette
journal, March 1931


Half-metallic graphene nanoribbons
journal, November 2006

  • Son, Young-Woo; Cohen, Marvin L.; Louie, Steven G.
  • Nature, Vol. 444, Issue 7117
  • DOI: 10.1038/nature05180

Toward Cove-Edged Low Band Gap Graphene Nanoribbons
journal, May 2015

  • Liu, Junzhi; Li, Bo-Wei; Tan, Yuan-Zhi
  • Journal of the American Chemical Society, Vol. 137, Issue 18
  • DOI: 10.1021/jacs.5b03017

Site-Specific Substitutional Boron Doping of Semiconducting Armchair Graphene Nanoribbons
journal, July 2015

  • Cloke, Ryan R.; Marangoni, Tomas; Nguyen, Giang D.
  • Journal of the American Chemical Society, Vol. 137, Issue 28
  • DOI: 10.1021/jacs.5b02523

Berry phase effects on electronic properties
journal, July 2010


Solitons in conducting polymers
journal, July 1988


Atomically precise bottom-up fabrication of graphene nanoribbons
text, January 2010

  • Cai, J. M.; Ruffieux, P.; Jaafar, R.
  • Nature Publishing Group
  • DOI: 10.5167/uzh-36020

Zur Theorie der Metalle: Erwiderung auf eine Arbeit von A. H. Wilson
journal, September 1933


Half-Metallic Graphene Nanoribbons
text, January 2006


On-surface synthesis of graphene nanoribbons with zigzag edge topology
text, January 2016

  • Fasel, Roman; Talirz, Leopold; Passerone, Daniele
  • Macmillan Journals Ltd.
  • DOI: 10.7892/boris.90580

Works referencing / citing this record:

Photochemistry Highlights on On‐Surface Synthesis
journal, June 2019


On‐Surface Synthesis and Spectroscopic Characterization of Laterally Extended Chevron Graphene Nanoribbons
journal, June 2019

  • Teeter, Jacob D.; Zahl, Percy; Mehdi Pour, Mohammad
  • ChemPhysChem, Vol. 20, Issue 18
  • DOI: 10.1002/cphc.201900445

Polycyclic aromatic hydrocarbons in the graphene era
journal, June 2019


Engineering of robust topological quantum phases in graphene nanoribbons
journal, August 2018


Topological band engineering of graphene nanoribbons
journal, August 2018


Antiferromagnetic MnNi tips for spin-polarized scanning probe microscopy
journal, December 2018

  • Forrester, P. R.; Bilgeri, T.; Patthey, F.
  • Review of Scientific Instruments, Vol. 89, Issue 12
  • DOI: 10.1063/1.5042530

Engineered electronic states in atomically precise artificial lattices and graphene nanoribbons
journal, January 2019


Quantum magnetism of topologically-designed graphene nanoribbons
journal, September 2019

  • Zhu, Xingchuan; Guo, Huaiming; Feng, Shiping
  • Journal of Physics: Condensed Matter, Vol. 31, Issue 50
  • DOI: 10.1088/1361-648x/ab3f81

Pseudo chiral anomaly in zigzag graphene ribbons
journal, October 2019


Highly tunable charge and spin transport in silicene junctions: phase transitions and half-metallic states
journal, June 2018


Topological and transport properties of graphene-based nanojunctions subjected to a magnetic field
journal, October 2019


Reconfigurable topological phases in photoexcited graphene nanoribbon arrays
journal, August 2018


Topological phase and chiral edge states of bilayer graphene with staggered sublattice potentials and Hubbard interaction
journal, September 2018


Interface Coupling as a Crucial Factor for Spatial Localization of Electronic States in a Heterojunction of Graphene Nanoribbons
journal, February 2019


Varying topological properties of two-dimensional honeycomb lattices composed of endohedral fullerenes
journal, July 2019


Electrical spin manipulation in graphene nanostructures
journal, May 2018


Antiferromagnetic MnNi tips for spin-polarized scanning probe microscopy
text, January 2018

  • Forrester, P. R.; Bilgeri, T.; Patthey, F.
  • American Institute of Physics
  • DOI: 10.5167/uzh-160807

Electrical spin manipulation in graphene nanostructures
text, January 2017


Antiferromagnetic MnNi tips for spin-polarized scanning probe microscopy
text, January 2018


Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.