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

Jin, Kyung-Hwan; Yeom, Han Woong; Liu, Feng

doi:10.1103/physrevb.101.035111

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

Journal Article · Wed Jan 08 00:00:00 EST 2020 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.101.035111· OSTI ID:1800197

^[1]; Yeom, Han Woong ^[2];

^[1]

Univ. of Utah, Salt Lake City, UT (United States)
Institute for Basic Science (IBS), Pohang (Korea); Pohang Univ. of Science and Technology (POSTECH) (Korea, Republic of)

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.

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Research Organization:: Univ. of Utah, Salt Lake City, UT (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Research Foundation of Korea (NRF); Ministry of Science and ICT

Grant/Contract Number:: FG02-04ER46148; 2019H1D3A1A01071056

OSTI ID:: 1800197

Journal Information:: Physical Review B, Vol. 101, Issue 3; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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