SiVacuum_cddm_schrodinger.mat
bf8dc7e0698dlammps-icms

SiVacuum_cddm_schrodinger.mat
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			#=====================================================
			material Vacuum metal
			#### two temperature ####################
			#### drift diffusion #####################
			electric_field linear
			permittivity 1.0
			end
			end

			#=====================================================
			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
			diffusivity 1400.0 # L^2/t
			mask_y 1
			mask_z 1
			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 http://en.wikipedia.org/wiki/Relative_permittivity
			end
			effective_mass constant
			inv_effective_mass 1.0 # unit-less
			end
			electron_density fermi_dirac
			fermi_energy 0.0 # HACK
			band_edge -1.0 # -1.0
			# reference_temperature 0.0 # HACK
			# donor_concentration 0.001 # HACK
			# donor_ionization_energy 0.1 # relative to band edge HACK
			end

			### convective functions
			electron_drag linear
			inv_momentum_relaxation_time 100.
			end
			electron_flux convection
			end

			end