View in EDS

Tunable electronic band gap of bilayer silicon carbide (SiC): The effect of interlayer stacking, electric field and strain.

Saved in:
Bibliographic Details
Title: Tunable electronic band gap of bilayer silicon carbide (SiC): The effect of interlayer stacking, electric field and strain.
Authors: Lin, Heng-Fu1,2 (AUTHOR) hflin@wust.edu.cn, Xu, Lu-Ya1 (AUTHOR), Liu, Hui-Ying1 (AUTHOR), Hou, Ting-Ping1,2 (AUTHOR), Liu, Nan-Shu1,3 (AUTHOR) liuns0215@gmail.com
Source: Physica B. Mar2025, Vol. 700, pN.PAG-N.PAG. 1p.
Subjects: Electronic band structure, Atomic structure, Semiconductors, Carbon-based materials, Density functional theory
Abstract: Recently, 2D semiconducting carbon material SiC has been proposed to overcome the zero bandgap problem of the graphene, which are potential used in the future electronic and optoelectronic devices. Here, we use a simple graphical method combined with density functional theory to examine the atomic structure and electronic band gap of the bilayer SiC. The SiC bilayer with AA, AC, AD, and BC stacking configurations can be stabilized through van der Waals interactions and their band gap are strongly dependent on the stacking order. The AC stacking is most energy favorable, and it is a semiconductor with an indirect band gap size of 1.97 eV under PBE functional level and 2.76 eV under HSE06 level. The band gap will increase (decrease) under positive (negative) vertical electrical field E ⊥ , in-plane compressive (tensive) strain ε and vertical tensive (compressive) strain δ. The bilayer SiC with AC stacking will transition to a direct band gap semiconductor at −0.5< E ⊥ <0.0 V/Å, ε > 0, and −0.1< δ < 0.0. Furthermore, the optical absorption coefficient can be significantly tuned by in-plane ε and vertical strain δ. [ABSTRACT FROM AUTHOR]
Copyright of Physica B is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
Description
Abstract:Recently, 2D semiconducting carbon material SiC has been proposed to overcome the zero bandgap problem of the graphene, which are potential used in the future electronic and optoelectronic devices. Here, we use a simple graphical method combined with density functional theory to examine the atomic structure and electronic band gap of the bilayer SiC. The SiC bilayer with AA, AC, AD, and BC stacking configurations can be stabilized through van der Waals interactions and their band gap are strongly dependent on the stacking order. The AC stacking is most energy favorable, and it is a semiconductor with an indirect band gap size of 1.97 eV under PBE functional level and 2.76 eV under HSE06 level. The band gap will increase (decrease) under positive (negative) vertical electrical field E ⊥ , in-plane compressive (tensive) strain ε and vertical tensive (compressive) strain δ. The bilayer SiC with AC stacking will transition to a direct band gap semiconductor at −0.5< E ⊥ <0.0 V/Å, ε > 0, and −0.1< δ < 0.0. Furthermore, the optical absorption coefficient can be significantly tuned by in-plane ε and vertical strain δ. [ABSTRACT FROM AUTHOR]
ISSN:09214526
DOI:10.1016/j.physb.2025.416890