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qcl:input_file [2022/03/07 14:49] thomas.grange [Simulation parameters] |
qcl:input_file [2023/01/05 10:07] (current) thomas.grange [Scattering processes] |
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| Note that in this case, the axial correlation length is needed to fully specified the interface rouhgness. Otherwise, if not specified or set to zero, the standard approach for calculating interface roughness scattering is used. | Note that in this case, the axial correlation length is needed to fully specified the interface rouhgness. Otherwise, if not specified or set to zero, the standard approach for calculating interface roughness scattering is used. | ||
| + | |||
| + | === Threading dislocations === | ||
| + | To be documented | ||
| === Acoustic phonons === | === Acoustic phonons === | ||
| Line 414: | Line 417: | ||
| === Optical phonons === | === Optical phonons === | ||
| - | (optional) Sometimes it might be useful to investigate the influence of the longitudinal-optical (LO) phonon interaction in more detail. | + | (optional) Sometimes it might be useful to investigate the influence of the longitudinal-optical (LO) phonon interaction on the full NEGF simulation. |
| - | Then one can artificially tune the coupling strength due to LO phonons. | + | Then one can artificially tune the LO-phonon scattering rates (self-energies in practice, or equivalently the square of the coupling to LO-phonons). |
| - | The microscopic value of the LO phonon coupling strength is then multiplied by the scaling factor ''<LO_Phonon_Coupling_Strength>''. | + | The microscopic value of the square of the LO phonon matrix element is then multiplied by the scaling factor ''<LO_Phonon_Coupling_Strength>''. |
| <code> | <code> | ||
| <Tune_LO_Phonon_Scattering>yes</Tune_LO_Phonon_Scattering> | <Tune_LO_Phonon_Scattering>yes</Tune_LO_Phonon_Scattering> | ||
| Line 425: | Line 428: | ||
| <!-- 1.0 is the value of the normal calculation --> | <!-- 1.0 is the value of the normal calculation --> | ||
| </code> | </code> | ||
| + | A value of 1.0 will have no effect, while larger (smaller) values will increase (decrease) the LO-phonon self-energy proportionally respectively. | ||
| === Charged impurities === | === Charged impurities === | ||
| Line 453: | Line 457: | ||
| <!-- (model #3 only) --> | <!-- (model #3 only) --> | ||
| - | <Phenomenological_Electron_Temperature> no </Phenomenological_Electron_Temperature> | ||
| - | |||
| - | <Self_consistent_Electron_Temperature> no </Self_consistent_Electron_Temperature> | ||
| </code> | </code> | ||
| <code> | <code> | ||
| Line 467: | Line 468: | ||
| Alloy scattering can be considered using the following command. | Alloy scattering can be considered using the following command. | ||
| <code> | <code> | ||
| - | <Alloy_scattering> yes </Alloy_scattering> | + | <Alloy_scattering>yes</Alloy_scattering> |
| </code> | </code> | ||
| Note that alloy scattering is only considered for the material specified by <Material_for_scattering_parameters>. | Note that alloy scattering is only considered for the material specified by <Material_for_scattering_parameters>. | ||
| Line 479: | Line 480: | ||
| This squared matrix element can be tuned with respect to the above formula by using the following command (tuning the squared matrix element is equivalent of tuning the scattering rate): | This squared matrix element can be tuned with respect to the above formula by using the following command (tuning the squared matrix element is equivalent of tuning the scattering rate): | ||
| <code> | <code> | ||
| - | <Alloy_scattering> yes </Alloy_scattering> | + | <Alloy_scattering>yes</Alloy_scattering> |
| <Tune_Alloy_scattering>0.5</Tune_Alloy_scattering> | <Tune_Alloy_scattering>0.5</Tune_Alloy_scattering> | ||
| - | </Scattering> | ||
| </code> | </code> | ||
| Line 499: | Line 499: | ||
| </code> | </code> | ||
| A value of 1.0 gives the normal calculation. | A value of 1.0 gives the normal calculation. | ||
| + | |||
| + | <code> | ||
| + | </Scattering> | ||
| + | </code> | ||
| ==== Poisson equation ==== | ==== Poisson equation ==== | ||
| The electrostatic mean-field interactions (electron-electron and electron-impurities interactions) can be switched on/off by using ''yes'' or ''no'' in the ''<Poisson>'' command. | The electrostatic mean-field interactions (electron-electron and electron-impurities interactions) can be switched on/off by using ''yes'' or ''no'' in the ''<Poisson>'' command. | ||
| Line 513: | Line 517: | ||
| <code> | <code> | ||
| - | <Material_for_lateral_motion>well</Material_for_lateral_motion> | ||
| <Lateral_motion> | <Lateral_motion> | ||
| + | <Material_for_lateral_motion>well</Material_for_lateral_motion> | ||
| <Value unit="meV">5</Value> | <Value unit="meV">5</Value> | ||
| </Lateral_motion> | </Lateral_motion> | ||
| Line 599: | Line 603: | ||
| <Emin_shift unit="meV"> 0 </Emin_shift> | <Emin_shift unit="meV"> 0 </Emin_shift> | ||
| </code> | </code> | ||
| - | ''0'' is the default value - a negative value increases the energy range of the Green's functions towards low energies. | + | where ''0'' is the default value - a negative value increases the energy range of the Green's functions towards lower energies. |
| This energy shift is made with respect to the value $E_{\text{min}}$ => $E_{\text{min}}$ + ''<Emin_shift unit="meV">'' | This energy shift is made with respect to the value $E_{\text{min}}$ => $E_{\text{min}}$ + ''<Emin_shift unit="meV">'' | ||
| + | For shifting the maximum energy limit, the following command can be used | ||
| <code> | <code> | ||
| <Emax_shift unit="meV"> 0 </Emax_shift> | <Emax_shift unit="meV"> 0 </Emax_shift> | ||
| </code> | </code> | ||
| - | ''0'' is the default value - a positive value increases the energy range of the Green's functions towards high energies. | + | where ''0'' is the default value - a positive value increases the energy range of the Green's functions towards higher energies. |
| - | This energy shift is with respect to $E_{\rm max}$ = Energy(higher Wannier-Stark state) + Energy(higher lateral state). | + | This energy shift is made with respect to the value $E_{\text{max}}$ => $E_{\text{max}}$ + ''<Emax_shift unit="meV">'' |
| - | The [[qcl:faq|FAQ]] contains an example of different choices of ''<Emin_shift>'' and ''<Emax_shift>''. | + | To know whether changing the default setting of the energy range of the Green's functions can be done or is needed, one has to look at the output of the spectral functions (see the example in the [[qcl:faq#i_don_t_understand_the_meaning_of_emin_shift_and_e_max_shift_of_the_energy_grid_can_you_give_an_example|FAQ]]) |
| === Convergence factors for the Green's functions === | === Convergence factors for the Green's functions === | ||
| Line 700: | Line 704: | ||
| In the case of a combined temperature-voltage sweep, the value of the last calculated bias value below threshold bias is used as a starting point of the following bias sweep at the next temperature. | In the case of a combined temperature-voltage sweep, the value of the last calculated bias value below threshold bias is used as a starting point of the following bias sweep at the next temperature. | ||
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qcl/input_file.1646664560.txt.gz · Last modified: 2022/03/07 14:49 by thomas.grange
