Doping of ultra-thin Si films: Combined first-principles calculations and experimental study

• Published in: Journal of applied physics Vol. 129; no. 1
• Main Authors: Gity, Farzan, Meaney, Fintan, Curran, Anya, Hurley, Paul K., Fahy, Stephen, Duffy, Ray, Ansari, Lida
• Format: Journal Article
• Language: English
• Published: Melville American Institute of Physics 07.01.2021
• Subjects: Applied physics; Conduction bands; Density functional theory; Dopants; Doping; Electrical properties; Electronic devices; Film thickness; First principles; Free energy; Heat of formation; High resolution electron microscopy; Ion implantation; Phosphorus; Quantum confinement; Silicon films; Temperature dependence; Thin films

This paper presents comprehensive density functional theory-based simulations to understand the characteristics of dopant atoms in the core and on the surface of ultra-thin sub-5 nm Si films. Quantum confinement-induced bandgap widening has been investigated for doped Si films considering two differ...