Dresden 2026 – scientific programme

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FM: Fachverband Funktionsmaterialien

FM 4: Focus Session: (Anti)ferroic states – Non-conventional states I

FM 4.8: Talk

Monday, March 9, 2026, 17:15–17:30, BEY/0138

Ferroelectricity in organic - inorganic TMCM-BCl3 (B=Mn, Fe, Zn) materials — •Mwanaidi Mauwa Namisi and Anna Grünebohm — Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr-University Bochum, Germany

Ferroelectric materials have switchable polarization in external electric field and play a central role in sensors, memory devices and dielectrics. Although oxide ceramics have been the main focus, they have limited chemical flexibility [1]. In contrast, hybrid organic-inorganic perovskites combine multiple degrees of freedom of both inorganic and organic frameworks enhancing structural versatility [2]. Their phase transition mechanisms and origin of ferroelectricity however remain underrepresented in literature. Here, we investigate the class of TMCM-BCl3 (B=Mn, Fe, Zn) hybrids using DFT methods and discuss these open questions. Furthermore, by B site compositional tuning, we explore the structure-property relations and how the choice of transition metal affects polarization, electronic properties and magnetism.

[1] Y-M You et al., Science 357, 6348 (2017). [2] Ghosh et al., Phys. Rev. Lett. 125, 207601, (2020).

Keywords: Hybrid Organic Inorganic; Ferroelectricity; Phase transitions; polarization; molecule orientations