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Journal of Computational Electronics
Erschienen in: Journal of Computational Electronics 2/2018

02.04.2018

Tuning electronic, magnetic, and transport properties of blue phosphorene by substitutional doping: a first-principles study

verfasst von: Fatemeh Safari, Morteza Fathipour, Arash Yazdanpanah Goharrizi

Erschienen in: Journal of Computational Electronics | Ausgabe 2/2018

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Abstract

Using first-principles density functional theory, we investigated the geometrical structure and magnetic, electronic, and transport properties of blue phosphorene doped with a multitude of substitutional impurities, including both metallic and semiconducting elements. Substitutional dopants modified the properties of blue phosphorene. B, Al, Ga, Sb, Bi, and Sc substitutional dopants led to an indirect- to direct-gap transition. Blue phosphorene with C, Si, Ge, Sn, O, S, Se, and Fe substitutional dopant atoms showed dilute magnetic semiconducting properties. Furthermore, the effective mass as well as zero-bias transmission spectrum of this material support the fact that the transport properties of blue phosphorene are modified by the above-mentioned impurity atoms. The effective mass of holes for the Bi- and Sb-doped systems was about \(0.138m_{0}\), implying that these systems have high hole mobility. Meanwhile, the Sb-doped system exhibited the smallest effective mass for electrons of \(0.244m_{0}\). The results of this study illustrate that doped blue phosphorene exhibits different electronic, magnetic, transport, and optical properties from pristine blue phosphorene, which may enable many useful applications in nanoelectronics, gas sensing, optoelectronics, and spintronics.
Vorheriger Artikel Exact analytical solution to the electron density for monolayer and bilayer graphene
Nächster Artikel Strain engineering of band dispersion and dielectric response of monolayer and bilayer AlN

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Metadaten
Titel
Tuning electronic, magnetic, and transport properties of blue phosphorene by substitutional doping: a first-principles study
verfasst von
Fatemeh Safari
Morteza Fathipour
Arash Yazdanpanah Goharrizi
Publikationsdatum
02.04.2018
Verlag
Springer US
Erschienen in
Journal of Computational Electronics / Ausgabe 2/2018
Print ISSN: 1569-8025
Elektronische ISSN: 1572-8137
DOI
https://doi.org/10.1007/s10825-018-1159-z

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