Geometric stability and electronic structure of infinite and finite phosphorus atomic chains
(color online) Geometric stucutres of six representative 1D infinite atomic chains: (a) mono-linear chain (L), (b) mono-armchair chain (AC), (c) mono-zigzag chain (ZZ), (d) dual-linear chain (d-L), (e) dual-armchair chain (d-DB), (f) dual-zigzag chain (d-ZZ). Lattice constant a is marked on each configuration. Bond lengths l1 of dual-chains are labeled in panels (d)–(f). (g) Phonon dispersion relation of the m-ZZ chain. (h) Vibrational displacements for three optical modes of the m-ZZ chain.
