Files
Document type
ArticleVersion
Published versionPublication date
Publication license
Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/219249
Electrostatic Gating of Phosphorene Polymorphs
Journal Title
Director/Tutor
Journal ISSN
Volume Title
Related resource
Abstract
The ability to directly monitor the states of electrons in modern field-effect transistors (FETs) could transform our understanding of the physics and improve the function of related devices. In particular, phosphorene allotropes present a fertile landscape for the development of high-performance FETs. Using density functional theory-based methods, we have systematically investigated the influence of electrostatic gating on the structures, stabilities, and fundamental electronic properties of pristine and carbon-doped monolayer (bilayer) phosphorene allotropes. The remarkable flexibility of phosphorene allotropes, arising from intra- and interlayer van der Waals interactions, causes a good resilience up to equivalent gate potential of two electrons per unit cell. The resilience depends on the stacking details in such a way that rotated bilayers show considerably higher thermodynamical stability than the unrotated ones, even at a high gate potential. In addition, a semiconductor to metal phase transition is observed in some of the rotated and carbon-doped structures with increased electronic transport relative to graphene in the context of real space Green’s function formalism.
Subject
Subject (English)
Citation
Citation
MALAYEE, F.M., et al. Electrostatic Gating of Phosphorene Polymorphs. Journal of Physical Chemistry C. 2023. ISSN 1932-7447. [consulted: 6 of June of 2026]. Available at: https://hdl.handle.net/2445/219249