A two-parameter model for the metal-semiconductor phase transition in a one-dimensional atomic system

A model is developed for a metal-semiconductor phase transition and a concurrent structural phase transformation in a one-dimensional system of atoms, each having one external electron. The interatomic interaction involves two components. One component is associated with atom shells, while another (of covalent nature) is due to overlap of the electron wave functions of neighboring atoms. It is found experimentally that the phase transition gives rise to the formation of a band gap in the electron spectrum and to the development of static phonon modes. These effects are accounted for by the numerical model under review. The results obtained are used to interpret the experimental data on the metal-semiconductor phase transition in VO2. © 2001 Plenum Publishing Corporation.