Regensburg 2025 – wissenschaftliches Programm

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HL: Fachverband Halbleiterphysik

HL 20: Poster I

HL 20.17: Poster

Dienstag, 18. März 2025, 10:00–12:30, P3

Bismuth oxyselenide (Bi2O2Se): Insights into chemical bonding and structural properties — •Sumayya Sumayya¹, Yuan Yu¹, Carl Friedrich Schon¹, Kim Dasol¹, Yueyang Yang², and Matthias Wuttig¹ — ¹RWTH, Aachen, Germany — ²Tsinghua University, China

The Bismuth Oxychalcogenides (Bi2O2X, X=S, Se, Te) are potential candidates in various fields such as Thermoelectrics, Ferroelectrics, Piezoelectrics, and photodetectors due to their unique 2D layered structure containing a bismuth oxide layer and a chalcogen layer. In this family, Bi2O2Se is considered the 2D rising star for the semiconductor industry because of its high crystallographic symmetry, tunable band gap, ultra-high electron mobility, strong Shubnikov-des Haas quantum oscillations, unique defects, and excellent stability. The relationship between bonding and material properties offers a versatile platform for tailoring electronic and vibrational properties, potentially leading to improved functional characteristics. Recently, many theoretical and experimental bonding descriptors such as electron transferred and shared values, Born effective charge, electrical conductivity, optical dielectric constant, Grüneisen parameter, and Probability of Multiple events in atom probe tomography have been devised. Our study employs a combination of advanced characterization techniques and theoretical calculations to probe the nature of bonding at different length scales, from local atomic level to extended structural motifs. In the future, this model can be used for other layered materials to understand the structure-property relationship via chemical bonding.

Keywords: oxychalcogenides; layered material; semiconductors; chemical bonding; structure property relationship