Paper Contents
Abstract
This study investigates the anion displacement phenomena in II-IV-V type ternary chalcopyrite semiconductors using the Phillips-Van Vechten-Levine (PVL) theory. The research focuses on understanding the structural distortions, electronic properties, and their correlation with ionicity parameters. Through systematic analysis of compounds such as ZnSiP, ZnGeP, ZnSnP, CdSiP, CdGeP, and CdSnP, we demonstrate how PVL theory effectively predicts anion displacement patterns and their impact on band gap properties. The results reveal significant correlations between ionicity, covalency, and structural parameters, providing insights into the fundamental physics governing these technologically important materials.
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Copyright © 2025 APURBA PARAMANIK. This is an open access article distributed under the Creative Commons Attribution License.
