Shining light on short-range atomic ordering in semiconductors alloys

TL;DR

This study introduces a machine learning-enabled EXAFS analysis method to quantify and tune short-range atomic order in GeSn semiconductor alloys, revealing its influence on bandgap properties.

Contribution

It presents a novel computation-guided approach for analyzing short-range order in semiconductor alloys and demonstrates how SRO tuning affects electronic properties.

Findings

SRO can be quantitatively measured using the new EXAFS method.

Post-deposition annealing effectively tunes the SRO in GeSn alloys.

SRO significantly influences the bandgap of GeSn nanostructures.

Abstract

The functional properties of semiconductors are typically controlled by tailoring their chemical composition and their state of strain, and by controlling their long-range structural order, including the presence of extended defects such as dislocations. In addition to these approaches, theoretical predictions suggest that short-range order (SRO) of atoms in group-IV semiconductor alloys can modify the bandgap, a defining property of any semiconductor. Herein, a new machine learning enabled, computation-guided methodology for extended X-ray absorption fine structure (EXAFS) analysis of SRO is used to quantify the effects of local atomic order on the bandgap of germanium-tin (GeSn) alloy single crystal nanostructures with well-controlled strain and composition. Correlative analysis of EXAFS and photoluminescence (PL) establishes the relationship between bandgap and the Warren-Cowley short-range order (WC-SRO) parameter of the GeSn alloys. It is further demonstrated that SRO can be tuned over a broad range by post-deposition annealing of the alloy crystals. This work establishes control of SRO as an important design parameter for semiconducting properties and suggests the potential for quantitative measurement and tuning of SRO in other semiconductor alloy systems.