Cumulative subject index volumes 41–45

Orbital correlation diagrams for the black phosphorus to A7 (arsenic) phase transformation for various points in the Brillouin zone are presented and analyzed in symmetry terms. The level doublings observed at the black phosphorus geometry for several points are directly attributable to the nonsymmorphic nature of the space group (Herring's theorem). Doublings observed at the A7 structure derive from the choice of a four-atom, rather than two-atom, unit cell to view the geometrical transformation. The space group requirements at the beginning and end points of the transformation process simply control the form of orbital correlation diagrams. In general, $\text{HOMO}\text{LUMO}$ crossings are found at $\text{k = (}\text{1}\text{2}\text{,α,β)}$ where bonds are made and broken along the x direction, a result with simple analogies to more easily visualized one-dimensional problems.