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lammps/examples/USER/atc/drift_diffusion/SiGe_ddm_schrodinger.mat
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SiGe_ddm_schrodinger.mat
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# barrier
material Si metal
#### two temperature ####################
heat_capacity constant
capacity 0.124578126430817 # E / L^3
end
electron_heat_capacity constant, no density #power_law
#capacity 3.53391324615404e-11
capacity 3.53391324615404e-8 # E / L^3
end
heat_flux linear
conductivity 722.65698 # E / t / L / T
end
electron_heat_flux linear
conductivity 0.0441362750535 # E / t / L / T
end
electron_phonon_exchange linear
coefficient 6.0221415e-09 # E / t / T
end
#### drift diffusion #####################
electron_flux linear
mobility 360000.0 # L^2/t/V
diffusivity 14000000.0 # L^2/t
end
electron_recombination linear
# inv_relaxation_time 0.0 # 1/t HACK
# equilibrium_carrier_density 1.0 # e/L^3 HACK
end
electric_field linear
permittivity 11.68 # e/V/L scales electric field vs charge
end
effective_mass constant
inv_effective_mass 1.0 # unit-less
end
electron_density fermi_dirac
fermi_energy 0.0
band_edge 0.5
# reference_temperature 300.0 # HACK
donor_concentration 0.001
# donor_ionization_energy 0.1 # relative to band edge HACK
end
end
# well
material Ge metal
#### two temperature ####################
heat_capacity constant
capacity 0.124578126430817 # E / L^3
end
electron_heat_capacity constant #power_law
#capacity 3.53391324615404e-11
capacity 3.53391324615404e-8 # E / L^3
end
heat_flux linear
conductivity 722.65698 # E / t / L / T
end
electron_heat_flux linear
conductivity 0.0441362750535 # E / t / L / T
end
electron_phonon_exchange linear
coefficient 6.0221415e-09 # E / t / T
end
#### drift diffusion #####################
electron_flux linear
mobility 360000.0 # L^2/t/V
diffusivity 14000000.0 # L^2/t
end
electron_recombination linear
inv_relaxation_time 0.0 # 1/t HACK
equilibrium_carrier_density 1.0 # e/L^3 HACK
end
electric_field linear
permittivity 11.68 # (SAME AS Si) e/V/L scales electric field vs charge
end
effective_mass constant
inv_effective_mass 1.0 # unit-less (SAME AS Si)
end
electron_density fermi_dirac
fermi_energy 0.0
band_edge -0.5
# reference_temperature 0.0 # HACK
# reference_temperature 300.0 # HACK
# donor_concentration 0.001 # HACK
# donor_ionization_energy 0.1 # relative to band edge HACK
end
end
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