# First-principles exploration of the electronic versatility of the GeH/SiSb heterostructure through stacking and electric fields

## TL;DR

This paper explores how stacking and electric fields can tune the electronic properties of a GeH/SiSb heterostructure for better optoelectronic devices.

## Contribution

The study reveals the electronic versatility of the GeH/SiSb heterostructure through stacking and electric field modulation.

## Key findings

- The GeH/SiSb heterostructure is stable and exhibits type-I or type-II band alignment depending on stacking.
- Electric fields can modulate the band gap and switch between type-I and type-II band alignments.
- Electric fields can transform the band gap from indirect to direct.

## Abstract

Designing heterostructures is crucial for developing advanced materials with tailored properties for specific applications. In this study, we explored the intrinsic properties, stability, and tunability of the GeH/SiSb heterostructure through various stacking patterns and the application of electric fields. Our findings confirm that combining GeH and SiSb monolayers creates a stable heterostructure, as evidenced by phononic spectrum analysis, AIMD simulations, and mechanical property evaluations. Depending on the stacking patterns, the heterostructure exhibits either type-I or type-II band alignments. Additionally, the application of electric fields effectively modulates the band gap, facilitates transitions between type-I and type-II alignments, and transforms the band gap from indirect to direct. These findings underscore the versatility of the GeH/SiSb heterostructure for next-generation optoelectronic devices, offering precise electronic property control to enhance device performance.

Designing heterostructures is crucial for developing advanced materials with tailored properties for specific applications.