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MM: Fachverband Metall- und Materialphysik

MM 12: Materials for the Storage and Conversion of Energy III / Functional Materials I

MM 12.1: Vortrag

Dienstag, 10. März 2026, 10:15–10:30, SCH/A216

Harmonising Symmetry and Spin: Unveiling Giant Rashba Splitting and Diverse Topological Phases in Composite Quantum Materials — •Arijeet Sarangi, Rajib Sarkar, and Sudip Chakraborty — Harish-Chandra Research Institute, Chhatnag Road, Jhunsi, Prayagraj - 211019, India

We present a systematic theoretical study of ABX-type composite quantum materials crystallizing in non-centrosymmetric hexagonal structures, carried out through high-throughput DFT calculations. Approximately 50 candidate systems were screened to explore the interplay between structural symmetry breaking, strong SOC and emergent electronic properties. Our investigation reveals a striking coexistence of Rashba spin splitting and topologically nontrivial band topology across this materials family, with Rashba coefficients and band inversions strongly dependent on atomic ordering and chemical composition. To complement the band-structure analysis, we perform Berry phase calculations, which confirm the topological character of selected states and identify Berry curvature hotspots near avoided crossings. Building upon this, we evaluate the spin Hall conductivity and orbital Hall conductivity for representative compounds, demonstrating substantial intrinsic values comparable to those in established topological semimetals. These findings point to a strong potential for dissipationless spin and orbital current generation, key ingredients for next-generation spintronic and orbitronic devices. These results establish a promising design space for multifunctional applications, bridging spintronics and topological electronics.

Keywords: quantum composite material; spin hall conductivity; Rashba