Transformation of the Topological Phase and the Edge Modes of Double-Bilayer Bismuthene with Inter-Bilayer Spacing

Hu, Huanzhi; Shi, Zhibin; Wang, Peng; Zhou, Weiping; Chiang, Tai-Chang; Wang, Xiaoxiong

doi:10.3390/cryst9050266

Title: Transformation of the Topological Phase and the Edge Modes of Double-Bilayer Bismuthene with Inter-Bilayer Spacing

Journal Article · Wed May 22 00:00:00 EDT 2019 · Crystals

DOI:https://doi.org/10.3390/cryst9050266· OSTI ID:1609843

Hu, Huanzhi ^[1]; Shi, Zhibin ^[1]; Wang, Peng ^[2]; Zhou, Weiping ^[1]; Chiang, Tai-Chang ^[3]; Wang, Xiaoxiong ^[1]

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)

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.

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Research Organization:: Univ. of Illinois at Urbana-Champaign, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: FG02-07ER46383

OSTI ID:: 1609843

Journal Information:: Crystals, Vol. 9, Issue 5; ISSN 2073-4352

Publisher:: MDPICopyright Statement

Country of Publication:: United States

Language:: English

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double-bilayer bismuthene
topological phase transition
edge modes
inter-bilayer spacing
first-principles calculations

Title: Transformation of the Topological Phase and the Edge Modes of Double-Bilayer Bismuthene with Inter-Bilayer Spacing

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