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

TL;DR

This study combines advanced STEM-EELS experiments and ab initio calculations to comprehensively analyze the optical absorption properties of hexagonal-diamond Si and Ge nanowires, revealing their potential for photonics and electronics.

Contribution

It provides the first detailed investigation of optical absorption in 2H-Si and 2H-Ge nanowires, linking structural quality with dielectric response through combined experimental and theoretical approaches.

Findings

2H-Si shows enhanced visible absorption with a threshold above 2.5 eV.

2H-Ge exhibits absorption near 1 eV without clear direct bandgap features.

A 2 eV peak in aloof spectra is due to a thin 3C-Ge shell.

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.