INVALID — this page does not measure conduction
The carrier is a domain with
Z_nuc = 0: no kernel, hence no kernel potential, hence
no force from the lattice. The applied force therefore drags the marker through free space
with its domain trailing, and the observed drift is not barrier crossing. Measured: 0.89 lattice
spacings for 0.022 Ha of work against a barrier of 0.20 Ha — a factor of twenty, which is the
tell. In this solver what moves is
kernels, and a carrier has none, so field-driven drift is
not available. The static barrier scan
(
electron_barrier_2d) is the valid route.
Kept as the record of a method that does not work.
Conduction: a carrier in a field
Conduction is charge moving
under an applied field. Without one a carrier merely rolls into
the nearest well, which tests equilibrium and not transport. Here a uniform force is applied to the
carrier alone and its drift is measured.
What is moving. The carrier is a charge domain carried by its own kernel, so what drifts is
a localised packet — the right picture for hopping or a polaron, and not density
transferring between neighbouring domains, which the solver's proximity labelling forbids.
Reading it. Drift many lattice spacings → the carrier is mobile.
One site and stuck → activated hopping, needing thermal help.
No motion → trapped. Raise T and repeat: drift rising with temperature is the
semiconductor signature and the opposite of a metal.
URL: ?F=0.01 force in Ha/Bohr, &T=300 kelvin,
&a=2.5 spacing, &ions=1 to let the lattice relax too.
starting…