Transformation of the Topological Phase and the Edge Modes of Double-Bilayer Bismuthene with Inter-Bilayer Spacing
Abstract
The transformations of the topological phase and the edge modes of a double-bilayer bismuthene were investigated with first-principles calculations and Green’s function as the inter-bilayer spacing increased from 0 Å to 10 Å. At a critical spacing of 2 Å, a topological phase transition from a topological insulator to a band insulator resulting from a band inversion between the highest valence band and the second lowest conduction band, was observed, and this was understood based on the particular orbital characters of the band inversion involved states. The edge modes of double-bilayer bismuthene survived the phase transition. When d was 2 Å < d < 4 Å, the interaction between the edge modes of two separated bismuthene bilayers induced an anti-crossing gap and resulted in a trivial band connection. At and beyond 4 Å, the two bilayers behavior decoupled entirely. The results demonstrate the transformability of the topological phase and the edge modes with the inter-bilayer spacing in double-bilayer bismuthene, which may be useful for spintronic applications.
- Authors:
-
- Nanjing Univ. of Science and Technology, Nanjing (China)
- Shandong Univ. of Science and Technology, Qingdao (China)
- Univ. of Illinois at Urbana-Champaign, IL (United States). Frederick Seitz Materials Research Lab.; National Taiwan Univ., Taipei (Taiwan)
- Publication Date:
- Research Org.:
- Univ. of Illinois at Urbana-Champaign, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1609843
- Grant/Contract Number:
- FG02-07ER46383
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Crystals
- Additional Journal Information:
- Journal Volume: 9; Journal Issue: 5; Journal ID: ISSN 2073-4352
- Publisher:
- MDPI
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Crystallography; Materials Science; double-bilayer bismuthene; topological phase transition; edge modes; inter-bilayer spacing; first-principles calculations
Citation Formats
Hu, Huanzhi, Shi, Zhibin, Wang, Peng, Zhou, Weiping, Chiang, Tai-Chang, and Wang, Xiaoxiong. Transformation of the Topological Phase and the Edge Modes of Double-Bilayer Bismuthene with Inter-Bilayer Spacing. United States: N. p., 2019.
Web. doi:10.3390/cryst9050266.
Hu, Huanzhi, Shi, Zhibin, Wang, Peng, Zhou, Weiping, Chiang, Tai-Chang, & Wang, Xiaoxiong. Transformation of the Topological Phase and the Edge Modes of Double-Bilayer Bismuthene with Inter-Bilayer Spacing. United States. https://doi.org/10.3390/cryst9050266
Hu, Huanzhi, Shi, Zhibin, Wang, Peng, Zhou, Weiping, Chiang, Tai-Chang, and Wang, Xiaoxiong. Wed .
"Transformation of the Topological Phase and the Edge Modes of Double-Bilayer Bismuthene with Inter-Bilayer Spacing". United States. https://doi.org/10.3390/cryst9050266. https://www.osti.gov/servlets/purl/1609843.
@article{osti_1609843,
title = {Transformation of the Topological Phase and the Edge Modes of Double-Bilayer Bismuthene with Inter-Bilayer Spacing},
author = {Hu, Huanzhi and Shi, Zhibin and Wang, Peng and Zhou, Weiping and Chiang, Tai-Chang and Wang, Xiaoxiong},
abstractNote = {The transformations of the topological phase and the edge modes of a double-bilayer bismuthene were investigated with first-principles calculations and Green’s function as the inter-bilayer spacing increased from 0 Å to 10 Å. At a critical spacing of 2 Å, a topological phase transition from a topological insulator to a band insulator resulting from a band inversion between the highest valence band and the second lowest conduction band, was observed, and this was understood based on the particular orbital characters of the band inversion involved states. The edge modes of double-bilayer bismuthene survived the phase transition. When d was 2 Å < d < 4 Å, the interaction between the edge modes of two separated bismuthene bilayers induced an anti-crossing gap and resulted in a trivial band connection. At and beyond 4 Å, the two bilayers behavior decoupled entirely. The results demonstrate the transformability of the topological phase and the edge modes with the inter-bilayer spacing in double-bilayer bismuthene, which may be useful for spintronic applications.},
doi = {10.3390/cryst9050266},
journal = {Crystals},
number = 5,
volume = 9,
place = {United States},
year = {Wed May 22 00:00:00 EDT 2019},
month = {Wed May 22 00:00:00 EDT 2019}
}
Web of Science
Works referenced in this record:
Electronic Structure of Ultrathin Bismuth Films with A7 and Black-Phosphorus-like Structures
journal, January 2008
- Yaginuma, Shin; Nagaoka, Katsumi; Nagao, Tadaaki
- Journal of the Physical Society of Japan, Vol. 77, Issue 1
First-principles investigation of structural and electronic properties of ultrathin Bi films
journal, January 2008
- Koroteev, Yu. M.; Bihlmayer, G.; Chulkov, E. V.
- Physical Review B, Vol. 77, Issue 4
Nontrivial topological electronic structures in a single Bi(111) bilayer on different substrates: A first-principles study
journal, October 2013
- Huang, Zhi-Quan; Chuang, Feng-Chuan; Hsu, Chia-Hsiu
- Physical Review B, Vol. 88, Issue 16
Topological insulators with inversion symmetry
journal, July 2007
- Fu, Liang; Kane, C. L.
- Physical Review B, Vol. 76, Issue 4
Tunability of the Quantum Spin Hall Effect in Bi(110) Films: Effects of Electric Field and Strain Engineering
journal, June 2017
- Li, Sheng-shi; Ji, Wei-xiao; Li, Ping
- ACS Applied Materials & Interfaces, Vol. 9, Issue 25
Special points for Brillouin-zone integrations
journal, June 1976
- Monkhorst, Hendrik J.; Pack, James D.
- Physical Review B, Vol. 13, Issue 12, p. 5188-5192
Simplified LCAO Method for the Periodic Potential Problem
journal, June 1954
- Slater, J. C.; Koster, G. F.
- Physical Review, Vol. 94, Issue 6
Edge engineering of a topological Bi(111) bilayer
journal, October 2014
- Li, Xiao; Liu, Haiwen; Jiang, Hua
- Physical Review B, Vol. 90, Issue 16
Oscillatory crossover from two-dimensional to three-dimensional topological insulators
journal, January 2010
- Liu, Chao-Xing; Zhang, HaiJun; Yan, Binghai
- Physical Review B, Vol. 81, Issue 4
Relativistic separable dual-space Gaussian pseudopotentials from H to Rn
journal, August 1998
- Hartwigsen, C.; Goedecker, S.; Hutter, J.
- Physical Review B, Vol. 58, Issue 7
Colloquium: Topological insulators
journal, November 2010
- Hasan, M. Z.; Kane, C. L.
- Reviews of Modern Physics, Vol. 82, Issue 4, p. 3045-3067
Quantized Hall conductance as a topological invariant
journal, March 1985
- Niu, Qian; Thouless, D. J.; Wu, Yong-Shi
- Physical Review B, Vol. 31, Issue 6
Large-Gap Quantum Spin Hall Insulator in Single Layer Bismuth Monobromide Bi 4 Br 4
journal, July 2014
- Zhou, Jin-Jian; Feng, Wanxiang; Liu, Cheng-Cheng
- Nano Letters, Vol. 14, Issue 8
Quantum Spin Hall Effect and Topological Phase Transition in HgTe Quantum Wells
journal, December 2006
- Bernevig, B. A.; Hughes, T. L.; Zhang, S.-C.
- Science, Vol. 314, Issue 5806, p. 1757-1761
Tuning Topological Edge States of Bi(111) Bilayer Film by Edge Adsorption
journal, April 2014
- Wang, Z. F.; Chen, Li; Liu, Feng
- Nano Letters, Vol. 14, Issue 5
Spatial and Energy Distribution of Topological Edge States in Single Bi(111) Bilayer
journal, July 2012
- Yang, Fang; Miao, Lin; Wang, Z. F.
- Physical Review Letters, Vol. 109, Issue 1
Topological surface states protected from backscattering by chiral spin texture
journal, August 2009
- Roushan, Pedram; Seo, Jungpil; Parker, Colin V.
- Nature, Vol. 460, Issue 7259, p. 1106-1109
Spintronics and pseudospintronics in graphene and topological insulators
journal, April 2012
- Pesin, Dmytro; MacDonald, Allan H.
- Nature Materials, Vol. 11, Issue 5
Spin Polarization and Transport of Surface States in the Topological Insulators and from First Principles
journal, December 2010
- Yazyev, Oleg V.; Moore, Joel E.; Louie, Steven G.
- Physical Review Letters, Vol. 105, Issue 26
ABINIT: First-principles approach to material and nanosystem properties
journal, December 2009
- Gonze, X.; Amadon, B.; Anglade, P. -M.
- Computer Physics Communications, Vol. 180, Issue 12
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006
- Grimme, Stefan
- Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
WannierTools: An open-source software package for novel topological materials
journal, March 2018
- Wu, QuanSheng; Zhang, ShengNan; Song, Hai-Feng
- Computer Physics Communications, Vol. 224
Robustness of two-dimensional topological insulator states in bilayer bismuth against strain and electrical field
journal, June 2013
- Chen, Li; Wang, Z. F.; Liu, Feng
- Physical Review B, Vol. 87, Issue 23
Stable Nontrivial Topology in Ultrathin Bi (111) Films: A First-Principles Study
journal, September 2011
- Liu, Zheng; Liu, Chao-Xing; Wu, Yong-Shi
- Physical Review Letters, Vol. 107, Issue 13
Atomic and Electronic Structure of Ultrathin Bi(111) Films Grown on Substrates: Evidence for a Strain-Induced Topological Phase Transition
journal, November 2012
- Hirahara, T.; Fukui, N.; Shirasawa, T.
- Physical Review Letters, Vol. 109, Issue 22
A topological insulator surface under strong Coulomb, magnetic and disorder perturbations
journal, December 2010
- Wray, L. Andrew; Xu, Su-Yang; Xia, Yuqi
- Nature Physics, Vol. 7, Issue 1
A brief introduction to the ABINIT software package
journal, January 2005
- Gonze, Xavier
- Zeitschrift für Kristallographie - Crystalline Materials, Vol. 220, Issue 5/6
Crossover of the three-dimensional topological insulator Bi2Se3 to the two-dimensional limit
journal, June 2010
- Zhang, Yi; He, Ke; Chang, Cui-Zu
- Nature Physics, Vol. 6, Issue 8
Visualizing topological edge states of single and double bilayer Bi supported on multibilayer Bi(111) films
journal, December 2018
- Peng, Lang; Xian, Jing-Jing; Tang, Peizhe
- Physical Review B, Vol. 98, Issue 24
Silicon-based chalcogenide: Unexpected quantum spin Hall insulator with sizable band gap
journal, October 2016
- Zhang, Run-wu; Zhang, Chang-wen; Ji, Wei-xiao
- Applied Physics Letters, Vol. 109, Issue 18
Interfacing 2D and 3D Topological Insulators: Bi(111) Bilayer on
journal, October 2011
- Hirahara, Toru; Bihlmayer, Gustav; Sakamoto, Yusuke
- Physical Review Letters, Vol. 107, Issue 16
WannierTools: An open-source software package for novel topological materials
text, January 2018
- Wu, QuanSheng; Zhang, ShengNan; Song, Hai-Feng
- Elsevier
Topological Surface States Protected From Backscattering by Chiral Spin Texture
text, January 2009
- Roushan, Pedram; Seo, Jungpil; Parker, Colin V.
- arXiv
A topological insulator surface under strong Coulomb, magnetic and disorder perturbations
text, January 2011
- Wray, L. Andrew; Xu, Su-Yang; Xia, Yuqi
- arXiv
WannierTools: An open-source software package for novel topological materials
text, January 2017
- Wu, QuanSheng; Zhang, ShengNan; Song, Hai-Feng
- arXiv
Quantum Spin Hall Effect and Enhanced Magnetic Response by Spin-Orbit Coupling
text, January 2006
- Murakami, Shuichi
- arXiv
Quantum Spin Hall Effect and Topological Phase Transition in HgTe Quantum Wells
text, January 2006
- Bernevig, B. Andrei; Hughes, Taylor L.; Zhang, Shou-Cheng
- arXiv
Works referencing / citing this record:
Recent Advances in Novel Topological Materials
journal, February 2020
- Bian, Guang; Chang, Tay-Rong
- Crystals, Vol. 10, Issue 2