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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.
<red> Note that in the current version (2020-06-18), only single band calculations are supported for such open boundary conditions. </red>
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:
<Contacts> <DensityLeft unit="cm^-3">1e18</DensityLeft> <DensityRight unit="cm^-3">1e18</DensityRight> <MaterialLeft>well</MaterialLeft> <MaterialRight>well</MaterialRight> <Broadening unit="meV">10.0</Broadening> <Ballistic>no</Ballistic> </Contacts>
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$^{-3}$.