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Title: Doping-induced topological phase transition in Bi: The role of quantum electronic stress

Abstract

Charge doping is an essential means to tailor a materials' properties. However, besides moving the Fermi level, charge doping is generally not expected to induce topological phase transition (TPT). Here, using first-principles calculations, we demonstrate an electron doping-induced TPT in bulk Bi from a higher-order topological insulator (HOTI) to a TI. In this work, the underlying mechanism is revealed to be driven by an electron doping-induced quantum electronic stress (QES), which in turn induces a highly anisotropic lattice expansion to close/reopen the small energy gap in Bi band structure. Our finding significantly resolves an outstanding controversy concerning the topological characterization of bulk Bi among existing experiments and theories, and explains the physical origin of the topological order in Bi (111) thin films. It sheds new light on the fundamental understanding of topological properties of small band gap materials in relation to doping and QES.

Authors:
ORCiD logo [1];  [2]; ORCiD logo [1]
  1. Univ. of Utah, Salt Lake City, UT (United States)
  2. Institute for Basic Science (IBS), Pohang (Korea); Pohang Univ. of Science and Technology (POSTECH) (Korea, Republic of)
Publication Date:
Research Org.:
Univ. of Utah, Salt Lake City, UT (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Research Foundation of Korea (NRF); Ministry of Science and ICT
OSTI Identifier:
1800197
Grant/Contract Number:  
FG02-04ER46148; 2019H1D3A1A01071056
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 101; Journal Issue: 3; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Materials Science; Physics

Citation Formats

Jin, Kyung-Hwan, Yeom, Han Woong, and Liu, Feng. Doping-induced topological phase transition in Bi: The role of quantum electronic stress. United States: N. p., 2020. Web. doi:10.1103/physrevb.101.035111.
Jin, Kyung-Hwan, Yeom, Han Woong, & Liu, Feng. Doping-induced topological phase transition in Bi: The role of quantum electronic stress. United States. https://doi.org/10.1103/physrevb.101.035111
Jin, Kyung-Hwan, Yeom, Han Woong, and Liu, Feng. Wed . "Doping-induced topological phase transition in Bi: The role of quantum electronic stress". United States. https://doi.org/10.1103/physrevb.101.035111. https://www.osti.gov/servlets/purl/1800197.
@article{osti_1800197,
title = {Doping-induced topological phase transition in Bi: The role of quantum electronic stress},
author = {Jin, Kyung-Hwan and Yeom, Han Woong and Liu, Feng},
abstractNote = {Charge doping is an essential means to tailor a materials' properties. However, besides moving the Fermi level, charge doping is generally not expected to induce topological phase transition (TPT). Here, using first-principles calculations, we demonstrate an electron doping-induced TPT in bulk Bi from a higher-order topological insulator (HOTI) to a TI. In this work, the underlying mechanism is revealed to be driven by an electron doping-induced quantum electronic stress (QES), which in turn induces a highly anisotropic lattice expansion to close/reopen the small energy gap in Bi band structure. Our finding significantly resolves an outstanding controversy concerning the topological characterization of bulk Bi among existing experiments and theories, and explains the physical origin of the topological order in Bi (111) thin films. It sheds new light on the fundamental understanding of topological properties of small band gap materials in relation to doping and QES.},
doi = {10.1103/physrevb.101.035111},
journal = {Physical Review B},
number = 3,
volume = 101,
place = {United States},
year = {Wed Jan 08 00:00:00 EST 2020},
month = {Wed Jan 08 00:00:00 EST 2020}
}

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