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Main Authors: Marzegalli, Anna, Montalenti, Francesco, Scalise, Emilio
Format: Preprint
Published: 2024
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Online Access:https://arxiv.org/abs/2407.14918
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author Marzegalli, Anna
Montalenti, Francesco
Scalise, Emilio
author_facet Marzegalli, Anna
Montalenti, Francesco
Scalise, Emilio
contents Crystal defects, traditionally viewed as detrimental, are now being explored for quantum technology applications. This study focuses on stacking faults in silicon and germanium, forming hexagonal inclusions within the cubic crystal and creating quantum wells that modify electronic properties. By modeling defective structures with varying hexagonal layer counts, we calculated formation energies and electronic band structures. Our results show that hexagonal inclusions in Si and Ge exhibit a direct band gap, changing with inclusion thickness, effectively functioning as quantum wells. We find that Ge inclusions have a direct band gap and form Type-I quantum wells. This research highlights the potential of manipulating extended defects to engineer the optoelectronic properties of Si and Ge, offering new pathways for advanced electronic and photonic device applications.
format Preprint
id arxiv_https___arxiv_org_abs_2407_14918
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Polytypic Quantum Wells in Si and Ge: Impact of 2D Hexagonal Inclusions on Electronic Band Structure
Marzegalli, Anna
Montalenti, Francesco
Scalise, Emilio
Materials Science
Crystal defects, traditionally viewed as detrimental, are now being explored for quantum technology applications. This study focuses on stacking faults in silicon and germanium, forming hexagonal inclusions within the cubic crystal and creating quantum wells that modify electronic properties. By modeling defective structures with varying hexagonal layer counts, we calculated formation energies and electronic band structures. Our results show that hexagonal inclusions in Si and Ge exhibit a direct band gap, changing with inclusion thickness, effectively functioning as quantum wells. We find that Ge inclusions have a direct band gap and form Type-I quantum wells. This research highlights the potential of manipulating extended defects to engineer the optoelectronic properties of Si and Ge, offering new pathways for advanced electronic and photonic device applications.
title Polytypic Quantum Wells in Si and Ge: Impact of 2D Hexagonal Inclusions on Electronic Band Structure
topic Materials Science
url https://arxiv.org/abs/2407.14918