Electronic structure of InP at RT, 200 and 100 K

Abstract

The bonding and the electronic structure of indium phosphide have been studied from precise single crystal data measured at 293, 200 and 100 K. A qualitative and quantitative analysis of the bonding in InP at these temperatures has been made using the maximum entropy method. The two-dimensional maps of electron density on the (1 0 0) and (1 1 0) planes as well as the one-dimensional density profiles along the [1 0 0], [1 1 0] and [1 1 1] directions reveal the covalent nature of the bonding. The mid-bond density is found to be 0.77 e/Å 3 at all the chosen temperatures. With decreasing temperature a charge shift has been observed from the valence region towards the core of the atoms. The thermal parameters of the individual atoms at 293, 200 and 100 K have also been reported in the present work.