Full-band study of ultra-thin Si:P nanowires

Author

Ryu, Hoon ; Lee, Sunhee ; Tan, Yui-Hong Matthias ; Weber, Bent ; Mahapatra, Suddhasatta ; Simmons, Michelle Y. ; Hollenberg, Lloyd C L ; Klimeck, Gerhard

Author_Institution

Supercomput. Center, Korea Inst. of Sci. & Technol. Inf. (KISTI), Daejeon, South Korea

fYear

2012

fDate

22-25 May 2012

Firstpage

1

Lastpage

4

Abstract

Metallic property and Ohmic conduction in densely phosphorus δ-doping ultra-thin silicon nanowires (Si:P NWs) are studied. A 10-band sp³ d⁵ s* tight-binding approach is used to describe device electronic structures atomistically. Electrostatics at equilibrium are self-consistently calculated with our in-house 3-D parallel Schrödinger-Poisson solver that is coupled to the Local Density Approximation to consider the electron exchange-correlation in simulations. We not only confirm the NW channel is metallic by calculating the equilibrium bandstructure of a 1.5nm wide and 1/4 atomic monolayer doping [110] Si:P NW, but also provide a strong connection to experiment by calculating ohmic conduction properties of a few NW channels and showing a quantitatively good agreement to the measured data. This work can be highlighted as the first study of Si:P NWs with a full-band atomistic approach.

Keywords

Schrodinger equation; density functional theory; electrostatics; elemental semiconductors; nanowires; phosphorus; silicon; tight-binding calculations; NW channel; Si:P; atomic monolayer doping; densely phosphorus δ-doping ultrathin silicon nanowires; device electronic structures; electron exchange-correlation; electrostatics; equilibrium band structure; full-band atomistic approach; full-band study; in-house 3D parallel Schrödinger-Poisson solver; local density approximation; metallic property; ohmic conduction; ohmic conduction property; sp³ d⁵ s* tight-binding approach; ultra-thin nanowires; Atomic layer deposition; Atomic measurements; Doping; Nanowires; Semiconductor process modeling; Silicon; Solid modeling; Atomistic modeling; Impurity; Nanowire; Quantum Transport; Si:P; Tight-binding;

fLanguage

English

Publisher

ieee

Conference_Titel

Computational Electronics (IWCE), 2012 15th International Workshop on

Conference_Location

Madison, WI

Print_ISBN

978-1-4673-0705-5

Type

conf

DOI

10.1109/IWCE.2012.6242857

Filename

6242857