Study of structural and electronic properties of fluoride perovskite KMgF3 using FP-LAPW method

Abstract

In this paper, we present the electronic properties of fluoride perovskite KMgF3 by using the full potential linearized augmented plane wave (FP-LAPW) method. The densities of states and energy band structures have been calculated by using the generalized gradient approximation (GGA) as exchange-correlation potential. The results obtained are in agreement with the previous experimental and theoretical results. The obtained value of energy band gap of 7.2 eV indicates the insulating behaviour of the sample material.