“…[14,15] Decomposition reactions of (Na/K)ClO 3 were investigated by X-ray photo electron spectroscopy. [16] Several experimental studies have been reported on structural [17,18,19,20,21,22] mechanical [23,24,25], IR and Raman spectroscopy [26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44] and optical [45,46,47,48] properties of the bulk crystals. A considerable amount of theoretical work has been devoted to understand the phase stability [49] mechanical [50] electronic structure of bulk and surfaces [49,51,52,53,54,55,56,57] and optical [54] properties of these materials using Hatree-Fock (HF) and standard Density Functional Theory (DFT) methods.…”