GatePotentialAlignment

class GatePotentialAlignment(reference_electrode=None, use_intrinsic_chemical_potential=None, work_function_difference=None, gate_work_function=None, reference_electrode_work_function=None)

A class for representing the potential alignment of a gate electrode with respect to a reference electrode.

Parameters:

  • reference_electrode (NLFlag.Left | NLFlag.Right) – The reference electrode direction.
    Default: NLFlag.Left

  • use_intrinsic_chemical_potential (bool) – If set to False, the chemical potential of the electrode specified in reference_electrode is used to determine work function differences. If True, the chemical potential of an equivalent intrinsic bulk configuration is used.
    Default: False

  • work_function_difference – The difference between the work function of the gate electrode and the work function of the reference electrode. A zero difference will keep the gate and the electrode aligned. A positive difference will introduce or increase an energy barrier between the gate electrode and the reference electrode and a negative difference will reduce or remove an energy barrier between the gate electrode and the reference electrode. Alternatively, the gate electrode and the reference electrode work function can be directly specified instead of their difference the parameters reference_electrode_work_function and gate_work_function.
    Default: 0 * eV

  • gate_work_function – The work function of the gate electrode, used to determine the difference with the reference electrode work function. The option is mutually exclusive with work_function_difference and if specified, also reference_electrode_work_function must be given.

  • reference_electrode_work_function – The work function of the reference electrode, used to determine the difference with the gate work function. If use_intrinsic_chemical_potential is set to True, the work function of an intrinsic equivalent bulk configuration should be set. The option is mutually exclusive with work_function_difference and if specified, also gate_work_function must be given.

referenceElectrode()
Returns:

The electrode used to set the reference energy.

Return type:

NLFlag.Left | NLFlag.Right

uniqueString()

Return a unique string representing the state of the object.

useIntrinsicChemicalPotential()
Returns:

Wheter the chemical potential of a bulk configuration equivalent to the electrode but intrinsic is used.

Return type:

bool

workFunctionDifference()
Returns:

The difference between the work function of the gate electrode and the work function of the reference electrode.

Return type:

PhysicalQuantity of type energy.