Regensburg 2025 – scientific programme

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HL: Fachverband Halbleiterphysik

HL 39: Poster III

HL 39.13: Poster

Wednesday, March 19, 2025, 15:00–18:00, P3

Origin of strong interband transitions in antimony — •Julia Vehndel, Nils Holle, Sebastian Walfort, and Martin Salinga — Universität Münster, Institut für Materialphysik, Wilhelm-Klemm-Straße 10, 48149 Münster

In recent years, phase change materials (PCMs) have attracted considerable interest as photonic memory elements due to a high contrast in optical properties between crystalline and amorphous states. In order to identify ideal PCMs for specific applications, the intricate connection between electronic structure, bonding and permittivity needs to be understood.

Here, we employ ab-initio simulations based on density functional theory to calculate the optical properties of the single-elemental PCM antimony in the visible and near-infrared. We analyze the permittivity in k-space for both crystalline and amorphous states. Most strikingly, the strong interband transitions at lower energies can be related to the electron and hole pockets in the first Brillouin zone of the crystalline state.

Keywords: Phase change materials; Density functional theory; Optical properties; Antimony