Optical absorption in hexagonal-diamond Si and Ge nanowires: insights from STEM-EELS experiments and ab initio theory

Luiz H. G. Tizei; Michele Re Fiorentin; Thomas Dursap; Theodorus M. van den Berg; Marc Túnica; Maurizia Palummo; Mathieu Kociak; Laetitia Vincent; Michele Amato

doi:10.1021/acs.nanolett.5c01406

arXiv · 2506.10543

Optical absorption in hexagonal-diamond Si and Ge nanowires: insights from STEM-EELS experiments and ab initio theory

Luiz H. G. Tizei·Michele Re Fiorentin·Thomas Dursap·Theodorus M. van den Berg·Marc Túnica·Maurizia Palummo·Mathieu Kociak·Laetitia Vincent·Michele Amato

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Abstract

Hexagonal-diamond (2H) group IV nanowires are key for advancing group IV-based lasers, quantum electronics, and photonics. Understanding their dielectric response is crucial for performance optimization, but their optical absorption properties remain unexplored. We present the first comprehensive study of optical absorption in 2H-Si and 2H-Ge nanowires, combining high-resolution STEM, monochromated EELS, and ab initio simulations. The nanowires, grown in situ in a TEM as nanobranches on GaAs stems, show excellent structural quality: single crystalline, strain-free, minimal defects, no substrate contamination, enabling access to intrinsic dielectric response. 2H-Si exhibits enhanced absorption in the visible range compared to cubic Si, with a marked onset above 2.5 eV. 2H-Ge shows absorption near 1 eV but no clear features at the direct bandgap, as predicted by ab initio simulations. A peak around 2 eV in aloof-beam spectra is attributed to a thin 3C-Ge shell. These findings clarify structure-optical response relationships in 2H materials.

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Luiz H. G. Tizei, Michele Re Fiorentin, Thomas Dursap, Theodorus M. van den Berg, Marc Túnica, Maurizia Palummo, Mathieu Kociak, Laetitia Vincent, Michele Amato. 2025-06-12. Optical absorption in hexagonal-diamond Si and Ge nanowires: insights from STEM-EELS experiments and ab initio theory. https://doi.org/10.1021/acs.nanolett.5c01406

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