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qcl:simulation_of_resonant_tunneling_diodes_rtds [2020/06/19 14:01] thomas.grange |
qcl:simulation_of_resonant_tunneling_diodes_rtds [2020/11/19 13:48] thomas.grange |
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The following page (in construction) describes the simulation of devices with open boundary conditions such as RTDs with the nextnano.NEGF software. | The following page (in construction) describes the simulation of devices with open boundary conditions such as RTDs with the nextnano.NEGF software. | ||
- | Note that in the current version (2020-06-18), only single band calculations are supported for such open boundary conditions. | + | <color red> |
+ | Note that in the current version (2020-11-19), only single band calculations are supported for such open boundary conditions. | ||
+ | </color> | ||
- | ==== Simulation of devices with open boundary conditions ==== | + | ====== Simulation of devices with open boundary conditions ====== |
In order to simulate a system with open boundary conditions (instead of the default field-periodic boundary condition), contacts have to be defined by adding a ''<Contacts>'' section in the input file: | In order to simulate a system with open boundary conditions (instead of the default field-periodic boundary condition), contacts have to be defined by adding a ''<Contacts>'' section in the input file: | ||
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</code> | </code> | ||
- | In this section, the carrier densities in the contact have to been defined using the ''<DensityLeft>'' and ''<DensityRight>'' commands, as shown above. The unit is cm$^{-3}$. | + | In this section, the carrier densities in the left and right contact have to been defined using the ''<DensityLeft>'' and ''<DensityRight>'' commands, as shown above. The unit is cm$^{-3}$. |
+ | |||
+ | The material of the left and right contacts needs to be defined by te command ''<MaterialLeft>'' and ''<MaterialRight>''. The string value has to be an alias defined in the ''<Materials>'' section of the input file. | ||
+ | |||
+ | A broadening energy can be defined by the command ''<Broadening>''. Indeed, scattering is not accounted in the contact, so that this commands allows a phenomenological broadening of the density of states in the contact. | ||
+ | |||
+ | The command ''<Ballistic>'' can be used to calculate ballistic transport between the contacts (i.e. no scattering process considered) if its value is set to ''yes''. |