OMEN Nanowire

Full-band 3D quantum transport simulation in nanowire structure

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Archive Version 1.15
Published on 15 Oct 2014
Latest version: 1.18. All versions

doi:10.4231/D35Q4RM9Z cite this

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As the size of semiconductor devices have been shrinking to the nano-scale, great interest has arisen among scientists and engineers. Even though the full quantum simulation of nanowire structures is still computationally very expensive, OMEN Nanowire, which is powered by OMEN, makes possible the simulation of nanowire structures at the atomistic level using reasonable computational resources.

OMEN Nanowire uses OMEN under the hood to calculate the bandstructure and transport characteristics. The bandstructure is calculated in the semi-empirical tight-binding model and the transport characteristics is calculated in the wavefunction approach. The scattering boundary approach is used for efficient calculation of boundary conditions for integration of tight-binding model into transport code. OMEN is also a fully parallelized using message passing interface(MPI) for wave vectors in the bandstructure and energy grids in the transport. Great flexibility in OMEN Nanowire for device structure and simulation options allows users to simulate a circular or rectangular nanowire with or without strain effect. Advanced 1D, 2D or 3D output plots make it possible for users to pioneer the nanowire devices more precisely.

This tool is supported by First Time User Guide and Supporting Document. A video demo for this tool is also avaiable. Following documents are useful for further understanding 

topic page is available for more study with homeworks/tests/real-life problems. Follow twitter on @omenwire

---- Update history

  • V 1.1 * Ge, GaAs, InAs materials added with example runs
  • V 1.0.7 * Data postprocessing error fixed
  • V 1.0.6 * Default workfunction is changed from 4.2eV to 4.1eV * Default doping density for source/drain is changed from 1e20/cm3 to 2e20/cm3 * The limitation of the number of CPUs is increased to 512.
  • V 1.0.5 * Examples for 110, 111 circular nanowire, 110 gate-all-around rectangular nanowire added * Wrong gate configuration in inputdeck for all-around gate fixed
  • V 1.0.4 * Minor interface change on material section * Minor fix on confusing labels in plot * Expert options for poisson iteration added
  • V 1.0.3 * Plot options in rappture interface changed * Images for plot option and crystal orientation in device structure uploaded * Vd default change from 0.6 to 0.4 * default workfunction of gate change from 4.25eV 4.2eV * Camera angle changed for 2D density of states
  • V 1.0.2 * Automatic adjustment of calculated energy range for current transport calculation to cover the whole range of current flowing * Updated description of input field in rappture interface * [ First time user guide]
  • V 1.0.1 * The error in postprocessing of the density of states is fixed * 3D carrier density log-plot improved(for more meaningful plot the minimum of plotted carrier density is limited to 1e-14) * Channel doping included * Number of CPU's will be limited to 256 in the Steele cluster. If number of CPUs to fullfill the simulation is lager than 256, then users will be asked to reduce the size of structure or the number of bias points. * The cross section of nanowire is limited to 3 nm in width and 3 nm in height of square nanowire (for circular nanowire the diameter will be limited 3.5 nm). * The length of nanowire is limited to 60 nm. * Figures to help users understand strain are included in the strain section. * Errors in postprocessing of the data for multiple bias points for Vds and Vgs fixed. * Improved simulation time estimation for small and large nanowires

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Mahieu Luisier, et. al., Atomistic simulation of nanowires in the sp3d5s* tight-binding formalism : From boundary conditions to strain calculations, Physical Review B 74, 205323 ,2006

Cite this work

Researchers should cite this work as follows:

  • SungGeun Kim; Mathieu Luisier; Benjamin P Haley; Abhijeet Paul; Saumitra Raj Mehrotra; Gerhard Klimeck (2017), "OMEN Nanowire," (DOI: 10.4231/D35Q4RM9Z).

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