Quasi-one-dimensional materials: polymers and chains

摘要

Results of density-functional calculations on materials that can be considered being quasi-1D are reported. The materials include some based on carbon (fullerene nanotubes and a polyyne), chains of metal atoms (Pb, An, and Ag), and charged chains as building blocks of crystals (PtS2 chains surrounded by K atoms and NiN chains separated by Ca atoms). In many cases it is found that 2D or 3D behaviors can be recognized, but in some cases the smaller changes due to the change from true 3D or 2D to quasi-ID have profound effects. (C) 2003 Elsevier Inc. All rights reserved. [References: 29]