Calculation of the electronic band structure for the hole-metal state of iodine in high-pressure phase

Abstract

It is shown by calculation of an electronic energy band structure that iodine in high-pressure phase (above 210 kbar) is a “hole-metal”, in which the conduction is due to holes. Properties of such states are discussed on the basis of the calculated band and analysis of measurements of a reflectance and a thermoelectric power recently reported.