Electronic structure simulation of thin silicon layers: Impact of orientation, confinement, and strain

Joseph, Thomas; Fuchs, Florian; Schuster, Jörg

doi:10.1016/j.physe.2022.115522

Cited by 2 publications

(1 citation statement)

References 23 publications

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“…To name the most advanced fields, silicon-based nanostructures have been widely studied in the past 30 years as potential candidates for transistors [6][7][8], tunneling diodes [9], biological sensors [1,[10][11][12][13][14][15][16], catalysts [17,18], and even quantum computer hardware [19], which have contributed to many new applications. Controlling the electronic properties of nanostructures [20] is critical when developing these applications.…”

Section: Introductionmentioning

confidence: 99%

Density Functional Investigation of [001] and [111] SiNWs and the Effect of Doping with Boron and Phosphorus

Al-Nuaimi,

Hilser,

Gemming

2024

Crystals

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In the present study, we investigate the influence of boron (B) and phosphorus (P) (p- and n-type, respectively) doping on the electronic properties of ultra-thin silicon nanowires (SiNWs) by gradient-corrected density functional calculations with the Perdew–Burke–Ernzerhof (PBE) approximation. In the limit of very small diameters (5–8 Å), both pristine and highly active unsaturated SiNWs with orientations along the [001] and [111] directions exhibit electronic states around the Fermi level, indicative of conductive properties. Conduction is further enhanced by the introduction of doping atoms, as demonstrated by the relative change in the band structures of SiNWs with and without B and P doping. This investigation provides an important insight into the electronic states of SiNWs, which are candidates for future electronics or sensing applications.

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