Stage-by-stage modeling of the mechanism of semiconductor – metal phase transition in vanadium dioxide

摘要

The algorithm of stage-by-stage qualitative modeling of the mechanism of a semiconductor – metal phase transition in vanadium dioxide has been proposed. The basis for the model is a statement that the transition is complex in character and consists of the anhysteretic, purely electronic Моtt transition occurring over a wide temperature range, and the temperature-abrupt structural Peierls transition having a thermal hysteresis. The initial stage of the model is based on the solution of a quantum-mechanical problem of an electronic spectrum of a linear vanadium-ion’s chain. The model is completed by consideration of correlation effects and a martensitic character of the structural transition through taking consecutively account of results obtained by X-ray, spectroscopic, impedansmetric and magnetoresonance metods.