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

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

Research output: Chapter in Book/Report/Conference proceedingConference PaperResearchpeer-review


Metallic property and Ohmic conduction in densely phosphorus δ-doping ultra-thin silicon nanowires (Si:P NWs) are studied. A 10-band sp 3 d 5 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.

Original languageEnglish
Title of host publication2012 15th International Workshop on Computational Electronics, IWCE 2012
Publication statusPublished - 2012
Externally publishedYes
Event2012 15th International Workshop on Computational Electronics, IWCE 2012 - Madison, WI, United States of America
Duration: 22 May 201225 May 2012


Conference2012 15th International Workshop on Computational Electronics, IWCE 2012
CountryUnited States of America
CityMadison, WI


  • Atomistic modeling
  • Impurity
  • Nanowire
  • Quantum Transport
  • Si:P
  • Tight-binding

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