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Predicted Growth of Two-Dimensional Topological Insulator Thin Films of III-V Compounds on Si(111) Substrate

Journal Article · · Scientific Reports
DOI:https://doi.org/10.1038/srep15463· OSTI ID:1242039
 [1];  [2];  [2];  [2];  [2];  [2];  [2];  [3];  [4]
  1. National Sun Yat-Sen Univ., Kaohsiung (Taiwan); National Sun Yat-Sen University, Taiwan
  2. National Sun Yat-Sen Univ., Kaohsiung (Taiwan)
  3. National Univ. of Singapore (Singapore)
  4. Northeastern Univ., Boston, MA (United States)
+ Show Author Affiliations
We have carried out systematic first-principles electronic structure computations of growth of ultrathin films of compounds of group III (B, Al, In, Ga, and Tl) with group V (N, P, As, Sb, and Bi) elements on Si(111) substrate, including effects of hydrogenation. Two bilayers (BLs) of AlBi, InBi, GaBi, TlAs, and TlSb are found to support a topological phase over a wide range of strains, in addition to BBi, TlN, and TlBi which can be driven into the nontrivial phase via strain. A large band gap of 134 meV is identified in hydrogenated 2 BL film of InBi. One and two BL films of GaBi and 2 BL films of InBi and TlAs on Si(111) surface possess nontrivial phases with a band gap as large as 121 meV in the case of 2 BL film of GaBi. Persistence of the nontrivial phase upon hydrogenations in the III-V thin films suggests that these films are suitable for growing on various substrates.
Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Center for the Computational Design of Functional Layered Materials (CCDM); Northeastern Univ., Boston, MA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Grant/Contract Number:
FG02-07ER46352
OSTI ID:
1242039
Journal Information:
Scientific Reports, Journal Name: Scientific Reports Vol. 5; ISSN 2045-2322
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English

References (45)

Prediction of Large-Gap Two-Dimensional Topological Insulators Consisting of Bilayers of Group III Elements with Bi journal April 2014
Giant Topological Nontrivial Band Gaps in Chloridized Gallium Bismuthide journal January 2015
Driving a GaAs film to a large-gap topological insulator by tensile strain journal February 2015
Edge state modulation of bilayer Bi nanoribbons by atom adsorption journal January 2014
Structural and electronic properties of III-V bismuth compounds journal March 2006
Quantum Spin Hall Effect in Silicene and Two-Dimensional Germanium journal August 2011
Large-Gap Quantum Spin Hall Insulators in Tin Films journal September 2013
Z2 Topological Order and the Quantum Spin Hall Effect journal September 2005
Stable nontrivial Z2 topology in ultrathin Bi (111) films: a first-principles study text January 2011
Gated Silicene as a tunable source of nearly 100% spin-polarized electrons text January 2013
Quantum spin Hall effect in three dimensional materials: Lattice computation of Z$_2$ topological invariants and its application to Bi and Sb text January 2006
Growth Parameters for Thin Film InBi Grown by Molecular Beam Epitaxy journal January 2014
Robust Large Gap Two-Dimensional Topological Insulators in Hydrogenated III–V Buckled Honeycombs journal September 2015
Group IV Graphene- and Graphane-Like Nanosheets journal June 2011
First-Principles Study of Ferromagnetism in Two-Dimensional Silicene with Hydrogenation journal February 2012
Quantum spin Hall insulators and quantum valley Hall insulators of BiX/SbX (X=H, F, Cl and Br) monolayers with a record bulk band gap journal December 2014
Gated silicene as a tunable source of nearly 100% spin-polarized electrons journal February 2013
Edge state modulation of bilayer Bi nanoribbons by atom adsorption journal January 2014
Tunable topological electronic structures in Sb(111) bilayers: A first-principles study journal January 2013
The formation and electronic properties of hydrogenated bilayer silicene from first-principles journal July 2014
Strain driven topological phase transitions in atomically thin films of group IV and V elements in the honeycomb structures journal October 2014
Hydrogenated ultra-thin tin films predicted as two-dimensional topological insulators journal November 2014
The nontrivial electronic structure of Bi/Sb honeycombs on SiC(0001) journal February 2015
Inhomogeneous Electron Gas journal November 1964
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965
Special points for Brillouin-zone integrations journal June 1976
Self-interaction correction to density-functional approximations for many-electron systems journal May 1981
Ab initiomolecular dynamics for liquid metals journal January 1993
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Structural and electronic properties of III-V bismuth compounds journal March 2006
Localized edge states in two-dimensional topological insulators: Ultrathin Bi films journal March 2011
Low-energy effective Hamiltonian involving spin-orbit coupling in silicene and two-dimensional germanium and tin journal November 2011
Topological and electronic transitions in a Sb(111) nanofilm: The interplay between quantum confinement and surface effect journal May 2012
Computational discovery of single-layer III-V materials journal April 2013
Nontrivial topological electronic structures in a single Bi(111) bilayer on different substrates: A first-principles study journal October 2013
Low-energy effective Hamiltonian for giant-gap quantum spin Hall insulators in honeycomb X -hydride/halide ( X = N – Bi ) monolayers journal August 2014
Quantum Spin Hall Effect in Silicene and Two-Dimensional Germanium journal August 2011
Stable Nontrivial Z 2 Topology in Ultrathin Bi (111) Films: A First-Principles Study journal September 2011
Large-Gap Quantum Spin Hall Insulators in Tin Films journal September 2013
Ground State of the Electron Gas by a Stochastic Method journal August 1980
Generalized Gradient Approximation Made Simple journal October 1996
Z2 Topological Order and the Quantum Spin Hall Effect journal September 2005
Colloquium: Topological insulators journal November 2010
Quantum Spin Hall Effect in Three Dimensional Materials: Lattice Computation of Z 2 Topological Invariants and Its Application to Bi and Sb journal May 2007

Cited By (14)

Strain induced band inversion and topological phase transition in methyl-decorated stanene film journal December 2017
Controlling the Polarity of the Molecular Beam Epitaxy Grown In-Bi Atomic Film on the Si(111) Surface journal January 2019
Two-dimensional Topological Crystalline Insulator Phase in Sb/Bi Planar Honeycomb with Tunable Dirac Gap journal January 2016
Prediction of Quantum Anomalous Hall Insulator in half-fluorinated GaBi Honeycomb journal August 2016
Topological band-order transition and quantum spin Hall edge engineering in functionalized X-Bi(111) (X = Ga, In, and Tl) bilayer journal September 2016
Prediction of high-temperature Chern insulator with half-metallic edge states in asymmetry-functionalized stanene journal January 2018
Structural and electronic properties of hydrogenated GaBi and InBi honeycomb monolayers with point defects journal January 2018
Robust large gap quantum spin Hall insulators in methyl and ethynyl functionalized TlSb buckled honeycombs journal July 2018
Prediction of two-dimensional organic topological insulator in metal-DCB lattices journal December 2018
Magnetotransport and superconductivity in InBi films grown on Si(111) by molecular beam epitaxy journal September 2019
Electronic transport properties of Weyl semimetals with strain-induced gauge fields journal January 2019
Electronic properties of the two-dimensional (Tl, Rb)/Si(1 1 1)$\boldsymbol{\sqrt3 \times \sqrt3}$ compound having a honeycomb-like structure journal September 2018
Carrier transport in two-dimensional topological insulator nanoribbons in the presence of vacancy defects journal February 2019
Prediction of two-dimensional topological insulator by forming a surface alloy on Au/Si(111) substrate journal January 2016

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75 CONDENSED MATTER PHYSICS
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