Poisson

Example
Poisson = yes
IterationPoissonStart = 10
FactPoisson = 0.1

The following keywords are available within this group:

Poisson

Calling sequence

Poisson =

Properties

  • values: yes or no

  • default: yes

Functionality

This keyword controls the activation of the Poisson’s equation for the electrostatics potential.

  • If yes, solve Poisson’s equation during the Self-consistent solver to account for the electrostatic mean-field interactions (electron-electron and electron-impurities interactions).

  • If no, the electrostatic interactions are not considered, no band bending will be accounted.

IterationPoissonStart

Calling sequence

IterationPoissonStart =

Properties

  • type: integer

  • values: \(z \geq 0\)

  • default: \(z=0\)

Functionality

This keyword controls the iteration at which the Poisson equation for electrostatics starts to be considered.

The default value is 0, meaning that the Poisson equation is solved at every iteration.

Setting a non-zero value means that the Poisson equation is not considered in the first iterations, and starts being solved at the specified iteration. This feature can be useful to optimize the convergence in heavily-doped systems.

FactPoisson

Calling sequence

FactPoisson =

Properties

  • type: real number

  • recommended values: 0 < FactPoisson < 0.5

  • default: \(r=0.2\)

Functionality

This keyword controls the convergence of the self-consistent Poisson-NEGF equations:

  • the larger the value, the faster the electrostatic potential will be updated, but with more risk of instability;

  • the smaller value, the more stable will be the convergence, but the number of iterations can increase for small values.

Last update: 19/11/2024