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

Abstract

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.

Authors:
 [1];  [1];  [1];  [1];  [1];  [1];  [1];  [2];  [3]
  1. National Sun Yat-Sen Univ., Kaohsiung (Taiwan)
  2. National Univ. of Singapore (Singapore)
  3. 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 Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1242039
Grant/Contract Number:  
FG02-07ER46352
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 5; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Yao, Liang-Zi, Crisostomo, Christian P., Yeh, Chun-Chen, Lai, Shu-Ming, Huang, Zhi-Quan, Hsu, Chia-Hsiu, Chuang, Feng-Chuan, Lin, Hsin, and Bansil, Arun. Predicted Growth of Two-Dimensional Topological Insulator Thin Films of III-V Compounds on Si(111) Substrate. United States: N. p., 2015. Web. doi:10.1038/srep15463.
Yao, Liang-Zi, Crisostomo, Christian P., Yeh, Chun-Chen, Lai, Shu-Ming, Huang, Zhi-Quan, Hsu, Chia-Hsiu, Chuang, Feng-Chuan, Lin, Hsin, & Bansil, Arun. Predicted Growth of Two-Dimensional Topological Insulator Thin Films of III-V Compounds on Si(111) Substrate. United States. doi:10.1038/srep15463.
Yao, Liang-Zi, Crisostomo, Christian P., Yeh, Chun-Chen, Lai, Shu-Ming, Huang, Zhi-Quan, Hsu, Chia-Hsiu, Chuang, Feng-Chuan, Lin, Hsin, and Bansil, Arun. Thu . "Predicted Growth of Two-Dimensional Topological Insulator Thin Films of III-V Compounds on Si(111) Substrate". United States. doi:10.1038/srep15463. https://www.osti.gov/servlets/purl/1242039.
@article{osti_1242039,
title = {Predicted Growth of Two-Dimensional Topological Insulator Thin Films of III-V Compounds on Si(111) Substrate},
author = {Yao, Liang-Zi and Crisostomo, Christian P. and Yeh, Chun-Chen and Lai, Shu-Ming and Huang, Zhi-Quan and Hsu, Chia-Hsiu and Chuang, Feng-Chuan and Lin, Hsin and Bansil, Arun},
abstractNote = {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.},
doi = {10.1038/srep15463},
journal = {Scientific Reports},
issn = {2045-2322},
number = ,
volume = 5,
place = {United States},
year = {2015},
month = {11}
}

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    Works referencing / citing this record:

    Prediction of two-dimensional topological insulator by forming a surface alloy on Au/Si(111) substrate
    journal, January 2016