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Title: Two-dimensional topological crystalline insulator phase in Sb/Bi planar honeycomb with tunable Dirac gap

Abstract

We predict planar Sb/Bi honeycomb to harbor a two-dimensional (2D) topological crystalline insulator (TCI) phase based on first-principles computations. Although buckled Sb and Bi honeycombs support 2D topological insulator (TI) phases, their structure becomes planar under tensile strain. The planar Sb/Bi honeycomb structure restores the mirror symmetry, and is shown to exhibit non-zero mirror Chern numbers, indicating that the system can host topologically protected edge states. Our computations show that the electronic spectrum of a planar Sb/Bi nanoribbon with armchair or zigzag edges contains two Dirac cones within the band gap and an even number of edge bands crossing the Fermi level. Lattice constant of the planar Sb honeycomb is found to nearly match that of hexagonal-BN. As a result, the Sb nanoribbon on hexagonal-BN exhibits gapped edge states, which we show to be tunable by an out-of the-plane electric field, providing controllable gating of edge state important for device applications.

Authors:
 [1];  [1];  [1];  [1];  [1];  [2];  [3];  [2];  [2];  [2];  [4]
  1. National Sun Yat-Sen Univ., Kaohsiung (Taiwan)
  2. National Univ. of Singapore (Singapore)
  3. National Univ. of Singapore (Singapore); Northeastern Univ., Boston, MA (United States)
  4. Northeastern Univ., Boston, MA (United States)
Publication Date:
Research Org.:
Northeastern Univ., Boston, MA (United States); Energy Frontier Research Centers (EFRC) (United States). Center for the Computational Design of Functional Layered Materials (CCDM)
Sponsoring Org.:
USDOE
OSTI Identifier:
1238779
Grant/Contract Number:  
SC0012575
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 6; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; electronic devices; topological insulators

Citation Formats

Hsu, Chia -Hsiu, Huang, Zhi -Quan, Crisostomo, Christian P., Yao, Liang -Zi, Chuang, Feng -Chuan, Liu, Yu -Tzu, Wang, Baokai, Hsu, Chuang -Han, Lee, Chi -Cheng, Lin, Hsin, and Bansil, Arun. Two-dimensional topological crystalline insulator phase in Sb/Bi planar honeycomb with tunable Dirac gap. United States: N. p., 2016. Web. doi:10.1038/srep18993.
Hsu, Chia -Hsiu, Huang, Zhi -Quan, Crisostomo, Christian P., Yao, Liang -Zi, Chuang, Feng -Chuan, Liu, Yu -Tzu, Wang, Baokai, Hsu, Chuang -Han, Lee, Chi -Cheng, Lin, Hsin, & Bansil, Arun. Two-dimensional topological crystalline insulator phase in Sb/Bi planar honeycomb with tunable Dirac gap. United States. https://doi.org/10.1038/srep18993
Hsu, Chia -Hsiu, Huang, Zhi -Quan, Crisostomo, Christian P., Yao, Liang -Zi, Chuang, Feng -Chuan, Liu, Yu -Tzu, Wang, Baokai, Hsu, Chuang -Han, Lee, Chi -Cheng, Lin, Hsin, and Bansil, Arun. Thu . "Two-dimensional topological crystalline insulator phase in Sb/Bi planar honeycomb with tunable Dirac gap". United States. https://doi.org/10.1038/srep18993. https://www.osti.gov/servlets/purl/1238779.
@article{osti_1238779,
title = {Two-dimensional topological crystalline insulator phase in Sb/Bi planar honeycomb with tunable Dirac gap},
author = {Hsu, Chia -Hsiu and Huang, Zhi -Quan and Crisostomo, Christian P. and Yao, Liang -Zi and Chuang, Feng -Chuan and Liu, Yu -Tzu and Wang, Baokai and Hsu, Chuang -Han and Lee, Chi -Cheng and Lin, Hsin and Bansil, Arun},
abstractNote = {We predict planar Sb/Bi honeycomb to harbor a two-dimensional (2D) topological crystalline insulator (TCI) phase based on first-principles computations. Although buckled Sb and Bi honeycombs support 2D topological insulator (TI) phases, their structure becomes planar under tensile strain. The planar Sb/Bi honeycomb structure restores the mirror symmetry, and is shown to exhibit non-zero mirror Chern numbers, indicating that the system can host topologically protected edge states. Our computations show that the electronic spectrum of a planar Sb/Bi nanoribbon with armchair or zigzag edges contains two Dirac cones within the band gap and an even number of edge bands crossing the Fermi level. Lattice constant of the planar Sb honeycomb is found to nearly match that of hexagonal-BN. As a result, the Sb nanoribbon on hexagonal-BN exhibits gapped edge states, which we show to be tunable by an out-of the-plane electric field, providing controllable gating of edge state important for device applications.},
doi = {10.1038/srep18993},
url = {https://www.osti.gov/biblio/1238779}, journal = {Scientific Reports},
issn = {2045-2322},
number = ,
volume = 6,
place = {United States},
year = {2016},
month = {1}
}

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