Symmetry-modified charge flipping

Alexander Eggeman1, Thomas White, Paul Midgley

  • 1Department of Materials Science and Metallurgy, University of Cambridge, Pembroke Street, Cambridge CB2 3QZ, UK.

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Crystal symmetry operations are isometric transformations that map objects onto indistinguishable copies while preserving distances, angles, and volumes. The simplest symmetry operation is translation, which shifts the entire infinite crystal lattice parallelly by a translation vector.Crystallographic rotations involve rotations by an angle of 2π/n around an axis without changing the positions of points on the axis. It is called the rotational axis of the symmetry, denoted by n. The combination...
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