Interfacial properties in edge-contact Borophene/BAs from first-principle study

Xiao Ouyang, Bin Liao () and Baoan Bian ()
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Xiao Ouyang: Beijing Normal University
Bin Liao: Beijing Normal University
Baoan Bian: Jiangnan University

The European Physical Journal B: Condensed Matter and Complex Systems, 2025, vol. 98, issue 6, 1-8

Abstract: Abstract The interfacial properties are investigated in edge-contact Borophene/BAs by the first principles. Boroβ12/BAs,Boroχ3/BAs and HBoro/BAs show high charge inject efficiency because of the absence of tunnel barrier. BAs at contact interface is metallized in Boroβ12/BAs and Boroχ3/BAs. The Boroβ12/BAs and Boroχ3/BAs have p-type Schottky barrier heights of 0.484 eV and 0.404 eV, while HBoro/BAs displays n-type Schottky barrier height of 0.289 eV. Few metal induced gap states in the channel of HBoro/BAs suggest better electronic transport. Moreover, it is found that the electric field changes the Schottky barrier height and contact type of the heterojunction, as well as causes the Ohmic contact. This work provides a way for the potential of BAs devices based on Borophene electrodes. Graphical abstract Top view of (a) Monolayer BAs, Boroβ12, Boroχ3 and HBoro. (b) Boroβ12 /BAs, (c) Boroχ3/BAs and (d) HBoro/BAs heterojunctions

Date: 2025
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DOI: 10.1140/epjb/s10051-025-00964-9

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