BinaryNNTBTable

class BinaryNNTBTable(onsite=None, nn_distance=None, cut_off=None, offsite=None)

Class for representing the Slater Koster table of a binary (two element) nearest neighbor tight binding model.

Parameters:

  • onsite (list of SlaterKosterOnsiteParameters) – The onsite parameters describing the two elements. This should be a list with two SlaterKosterOnsiteParameters.

  • nn_distance (PhysicalQuantity of type length) – The nearest-neighbor distance.

  • cut_off (PhysicalQuantity of type length) – The cut-off distance, outside which matrix elements are zero.

  • offsite (dict) – A dict, where the keys are allowed angular momentum labels for SK models, specified for element1 and element2, e.g. "gallium_arsenic_sss", "arsenic_gallium_s1ds", etc. and the values the corresponding matrix elements as PhysicalQuantity objects of type energy.

offsiteParameters()
Returns:

The offsite parameters.

Return type:

dict

onsiteParameters()
Returns:

The onsite parameters.

Return type:

dict