Study of structural and electronic properties of AgCl and AgBr binaries

Abstract

This modest work was devoted to studying the structural and electronic properties of the AgCl and AgBr binaries in the cubic NaCl phase. In this study, we used the FP-LAPW method based on functional density theory (DFT). For the treatment of exchange potential and correlation, we used the local density approximation (LDA). The objective of this work is to predict and compare the structural and electronic properties of our materials with other theoretical and experimental results. Most of the results obtained were approximate.