Delta{ }

Calling sequence

classical{ Delta{ } }

Properties
  • using: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • items: \(\mathrm{maximum\;1}\)

Functionality

By calling this group, three conduction bands with minimums along the \(\Delta\) lines become available in the model. The bands are referred to as Delta_1, Delta_2, and Delta_3 for the \(\Delta\) valleys located at [1 0 0], [0 1 0], and [0 0 1] directions, respectively, in output files.

Attention

This group applies to Si, Ge, GaP

Example
classical{
    Delta{}
    HH{}
}

global{
   ...
   crystal_zb{...}
}

Nested keywords


output_bandedge{ }

Calling sequence

classical{ Delta{ output_bandedge{ } } }

Properties
  • using: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • items: \(\mathrm{maximum\;1}\)

Functionality

Output minimum (band edge) of this band as energy profile in a single file [eV].

Example
classical{
    Delta{
        output_bandedge{}
    }
    HH{}
}

global{
   ...
   crystal_zb{...}
}

output_bandedge{ averaged }

Calling sequence

classical{ Delta{ output_bandedge{ averaged } } }

Properties
  • using: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • type: \(\mathrm{choice}\)

  • choices: \(\mathrm{yes\;/\;no}\)

  • default: \(\mathrm{no}\)

Functionality

If set to yes then, for each grid point, the energy profile will be averaged between neighboring material grid points. If set to no then abrupt discontinuities at interfaces are visible in the output files (in 1D two points, in 2D four points, in 3D eight points for each grid point).

Example
classical{
    Delta{
        output_bandedge{
            averaged = yes
        }
    }
    HH{}
}

global{
   ...
   crystal_zb{...}
}