Biased nanoelectronic device simulation

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SUMMARY

The discussion centers on the need for a simulation tool capable of modeling biased nanoelectronic devices, specifically nano-scale field effect transistors (FETs). Participants mention that traditional Density Functional Theory (DFT) software, such as SIESTA, does not support simulations under electrical bias. Instead, they suggest using time-dependent DFT for quantum transport in molecular devices and recommend developing custom code to solve the Poisson and Schrödinger equations self-consistently for accurate results.

PREREQUISITES
  • Understanding of Density Functional Theory (DFT)
  • Familiarity with nano-scale field effect transistors (FETs)
  • Knowledge of quantum transport phenomena
  • Ability to solve Poisson and Schrödinger equations
NEXT STEPS
  • Research time-dependent DFT applications in nanoelectronics
  • Explore custom coding techniques for solving Poisson and Schrödinger equations
  • Investigate alternative simulation tools for biased nanoelectronic devices
  • Learn about the limitations of traditional DFT in electronic device simulations
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Researchers and engineers in the fields of nanoelectronics, computational physics, and materials science, particularly those focused on simulating electronic devices under bias conditions.

carbon9
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Hi,

I wonder if there is a Density Functional Theory or Hartree-Fock Theory based atomistic simulator that can be used to simulate nanoelectronic devices for example nano-scale field effect transistors?

I looked at the documentations of SIESTA and other DFT software listed at https://www.physicsforums.com/showthread.php?t=132559&highlight=siesta but none of them mentions to be able to simulate these electronic devices, i.e. deices or systems under electrical bias. Do you know any software to simulate biased nanoelectronic devices?

Regards,
 
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Hi,

This might help

http://www.koders.com/

However, you can write a simple code by solving Possion and Schrödinger equations self-consistently.

Bests,
 
Time-dependent DFT can describe quantum transport in some molecular devices.
For traditional FET, my last post can be the answer, in this case, DFT is very tough!
 

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