Topology, electric field induced Rashba effect and metal-insulator transition: A case study with bulk and nanostructured layered Zintl compound, KCdBi
Phys. Rev. Materials 10, 034202 – Published 24 March, 2026
DOI: https://doi.org/10.1103/7w2l-q7xq
Abstract
Using first-principles calculations, we study the electronic structure of an unexplored Zintl compound, KCdBi. Our calculations establish KCdBi to be a rare example of a strong topological semimetal. The compound is found to be cleavable with a small cleavage energy (). The nanostructured KCdBi obtained by cleaving turned out to be a topological insulator, causing a semimetal to insulator transition upon dimensionality reduction. A rich phase diagram emerges upon application of an electric field to nanostructured KCdBi, which consists of topological insulating, topological metallic, weak and strong Rashba phases. This compound thus offers a platform to study nontrivial properties tunable by electric field and dimensionality. Our findings are expected to stimulate experimental investigation of this interesting compound.