CrystalLayer

class CrystalLayer(material_specifications, length=None, cleave_plane=None, plane_indices=None, tolerance=None, displacement_vector=None, **kwargs)

Class to specify layer materials in MultilayerBuilder.

Parameters:
  • material_specifications (MaterialSpecifications) – A descriptor of a bulk material, plus the information needed to perform the calculations.

  • length (PhysicalQuantity of type length | None) – Deprecated. use plane indices instead.
    Default: None

  • cleave_plane (sequence of length 3) – The Miller indices of the layer.

  • plane_indices (tuple) – The start and end atomic plane indices from the cleaved configuration, e.g., [0, 1], both inclusive. 0 always corresponds to the bottom layer of the configuration.

  • tolerance (float) – The (logarithmic) detection tolerance used to define atomic planes. Range [-10, 4].

  • displacement_vector (sequence | PhysicalQuantity of type length | None) – This surface vector is added to the layer configuration.

  • kwargs (dict) – Any deprecated keyword arguments.

displacementVector()
Returns:

This surface vector is added to the fractional coordinates of the layer configuration.

Return type:

sequence of length 2 | None

entry()
Returns:

The entry.

Return type:

HKMGEntry

classmethod entryType()

The type of entry to instantiate.

Returns:

The entry type.

Return type:

InterfacesEntry-based

length()
Returns:

The target length (thickness) of the layer.

Return type:

PhysicalQuantity of type length

materialSpecifications()
Returns:

The descriptor of a bulk material, plus the information needed to perform the calculations.

Return type:

MaterialSpecifications

uniqueString()

Return a unique string representing the state of the object.