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Figure 10
Visualization of the tight-binding modes for the different Bi irreducible representations. The Eu, T2u and T1u (1) mode sets have the largest amplitude. They describe the displacements that generate a toroidal distribution of Bi positions and agree with the predicted displacement modes of Eu and T1u symmetry from ab initio density functional theory calculations (Shoemaker et al., 2010BB38).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 48| Part 5| October 2015| Pages 1560-1572
https://doi.org/10.1107/S1600576715016404
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