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Section Navigation

Input Language

  • Input syntax
  • Keywords
    • classical{ }
      • Gamma{ }
      • HH{ }
      • LH{ }
      • SO{ }
      • X{ }
      • Delta{ }
      • L{ }
      • carrier_statistics
      • limit_classical_density
      • zero_negative_masses
      • band_gap_reference
      • energy_distribution{ }
      • energy_resolved_density{ }
      • bulk_dispersion{ }
      • output_bandgap{ }
      • output_bandedges{ }
      • output_carrier_densities{ }
      • output_band_densities{ }
      • output_ionized_dopant_densities{ }
      • output_carrier_densities_matgrid{ }
      • output_band_densities_matgrid{ }
      • output_ionized_dopant_densities_matgrid{ }
      • output_intrinsic_density{ }
    • contacts{ }
    • currents{ }
      • debuglevel
      • import_electron_fermi_level{ }
      • import_hole_fermi_level{ }
      • insulator_bandgap
      • electron_mobility{ }
      • hole_mobility{ }
      • recombination_model{ }
      • linear_solver{ }
      • minimum_density_electrons
      • minimum_density_holes
      • maximum_density_electrons
      • maximum_density_holes
      • electron_contact
      • hole_contact
      • output_fermi_levels{ }
      • output_fermi_level_difference{ }
      • output_velocities{ }
      • output_forces{ }
      • output_currents{ }
      • output_power_density{ }
      • output_mobilities{ }
      • output_recombination{ }
      • output_injection{ }
    • database{ }
      • Top-level attributes in database{ }
      • Zincblende-related …zb{} groups in database{ }
      • Wurtzite-related …wz{} groups in database{ }
      • Optical groups in database{ }
      • Bands groups in database{ …_zb{} } and database{ …_wz{} }
      • Strain groups in database{ …_zb{} } and database{ …_wz{} }
      • Low-field mobility groups in database{ …_zb{} } and database{ …_wz{} }
      • High-field mobility groups in database{ …_zb{ } } and database{ …_wz{ } }
      • Recombination groups in database{ …_zb{} } and database{ …_wz{} }
      • Phonons in database{ …_zb{} } and database{ …_wz{} }
      • Other groups in database{ …_zb{} } and database{ …_wz{} }
      • database{ …_zb{ kp_30_bands{} } } (optional)
    • global{ }
    • grid{ }
    • import{ }
    • impurities{ }
    • optics{ }
      • optics{ debuglevel }
      • optics{ global_illumination{ } }
      • optics{ global_reflectivity{ } }
      • optics{ global_absorption_coeff{ } }
      • optics{ global_refractive_index{ } }
      • optics{ light_propagation{ } }
      • optics{ photogeneration{ } }
      • optics{ semiclassical_spectra{ } }
      • optics{ quantum_spectra{ } }
    • output{ }
    • poisson{ }
    • postprocessor{ }
    • quantum{ }
      • debuglevel
      • region{ }
        • name
        • array_x{ }, array_y{ }, array_z{ }
        • array2_x{ }, array2_y{ }, array2_z{ }
        • Gamma{}, L{}, X{}, Delta{}, HH{}, LH{}, SO{}
        • kp_6band{ }
        • kp_8band{ }
        • boundary{ }
        • overlap_integrals{ }
        • momentum_matrix_elements{ }
        • dipole_moment_matrix_elements{ }
        • transition_energies{ }
        • lifetimes{ }
        • excitons{ }
        • output_states{ }
        • output_subband_densities{ }
        • quantum{ region{ output_quantum_densities{ } } }
        • quantum{ region{ output_gibbs_densities{ } } }
        • quantum{ region{ output_occupations_on_grid{ } } }
        • quantum{ region{ output_energies_on_grid{ } } }
        • output_rotated_inverse_mass_tensor{ }
      • exchange_correlation{ }
      • cbr{ }
    • splitquantum{ }
      • debuglevel
      • region{ }
        • name
        • array_x{ }, array_y{ }, array_z{ }
        • array2_x{ }, array2_y{ }, array2_z{ }
        • Gamma{}, L{}, X{}, Delta{}, HH{}, LH{}, SO{}
        • boundary{ }
        • splitquantum{ region{ quantize_x{ }, … } }
        • output_states{ }
        • output_subband_densities{ }
        • splitquantum{ region{ output_quantum_densities{ } } }
        • splitquantum{ region{ output_occupations_on_grid{ } } }
        • splitquantum{ region{ output_energies_on_grid{ } } }
        • output_rotated_inverse_mass_tensor{ }
      • exchange_correlation{ }
    • run{ }
      • structure_only{ }
      • strain{ }
      • poisson{ }
      • current_poisson{ }
      • quantum{ }
      • quantum_density{ }
      • quantum_poisson{ }
      • quantum_current_poisson{ }
      • quantum_optics{ }
    • structure{ }
      • region{ }
        • user_index
        • array_x{ }
        • array_y{ }
        • array_z{ }
        • array2_x{ }
        • array2_y{ }
        • array2_z{ }
        • repeat_profiles
        • contact{ }
        • doping{ }
      • output_region_index{ }
      • output_material_index{ }
      • output_user_index{ }
      • output_contact_index{ }
      • output_alloy_composition{ }
      • output_impurities{ }
      • output_generation{ }
      • output_injection{ }
      • structure{ region{ generation{ } injection{ } } }
      • structure{ region{ integrate{ } } }
      • structure{ region{} } - assigning materials
      • structure{ region{} } - shape objects
    • strain{ }
      • debuglevel
      • no_strain{ }
      • pseudomorphic_strain{ }
      • minimized_strain{ }
      • growth_direction
      • residual_strain
      • linear_solver{ }
      • import_strain{ }
      • piezo_density
      • second_order_piezo
      • threshold_delta1
      • pyro_density
      • output_hydrostatic_strain{ }
      • output_strain_tensor{ }
      • output_distortion_tensor{ }
      • output_stress_tensor{ }
      • output_displacement{ }
      • output_force_density{ }
      • output_elastic_energy_density{ }
      • output_polarization_charge{ }
      • output_polarization_charge_components{ }
      • output_polarization_vector{ }
      • output_polarization_vector_components{ }
      • output_lattice_constants{ }
      • output_elastic_constants{ }
      • output_piezo_constants{ }
      • output_second_order_piezo_constants{ }
      • output_pyro_constants{ }

Physical Models

  • Materials
    • Interpolation Schemes
    • Definition of band offsets (zincblende)
  • Strain
    • Crystal coordinate systems
    • Introduction to strain calculation
  • Electrostatics
    • Electrostatic potential
    • Charge densities
    • Doping
  • Currents
    • Carrier transport
    • Mobility
    • Generation and recombination rates - semiclassical models
    • Photocurrent and Efficiencies
  • Quantum
    • Envelope-function representation
    • Matrix elements
    • Hamiltonian: 8-band model for zincblende
    • Interface Hamiltonian 8-band Zinc-Blende
    • Excitons
    • Hamiltonian: 30-band model for zincblende
  • Optical Spectra
    • Optical spectra
    • Refractive index calculation

Other

  • Material database
    • Introduction to material database
    • Defining new materials
    • Default materials and alloys
    • Optical spectra
  • Simulation output
  • Maximizing performance
  • Command line

Bibliography

  • Books
  • Journal papers
  • Theses
  • Reference
  • Materials

Materials#

Materials

  • Interpolation Schemes
  • Definition of band offsets (zincblende)

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output_pyro_constants{ }

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Interpolation Schemes
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