GTReciprocalBasis

GTReciprocalBasis[lattice vectors]
calculates the reciprocal lattice vectors from a given set of lattice vectors.

DetailsDetails

  • If are the lattice vectors and are the corresponding reciprocal lattice vectors, the vectors fullfill the relation
  • The module works for two and three dimensional lattices.
  • Three dimensional reciprocal lattice vectors can be calculated by
  • (cyclic permutations of )
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 6.2

ExamplesExamplesopen allclose all

Basic Examples  (2)Basic Examples  (2)

First load the package:

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The basis of a simple cubic lattice is given:

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The reciprocal basis follows as :

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the condition a_i . b_(j )= 2pi delta_(i,j) has to be fulfilled.

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For an fcc lattice we get:

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