Ab initio study of strain and quantum confinement shaping the valence-band structure of Ge quantum wells

DOI

<p>Germanium–silicon–germanium (Ge/Si<sub>x</sub>Ge<sub>1-x</sub>) heterostructures have emerged as a prominent platform for high-mobility electronic devices and hole-spin–based quantum technologies. In this work, we present an <em>ab initio</em> study of strained germanium, demonstrating that biaxial compressive strain in a Ge quantum well strongly alters the valence-band structure. Specifically, the strain lifts the heavy-hole/light-hole degeneracy and modifies the effective masses (significantly enhances hole mobility). Our findings offer a comprehensive theoretical description of the combined effects of strain and quantum confinement on the valence bands of Ge quantum wells, providing a solid foundation for predictive modeling of Ge-based high-mobility electronics and hole-spin qubits.</p>

Identifier
DOI https://doi.org/10.24435/materialscloud:yg-hd
Related Identifier https://doi.org/10.48550/arXiv.2603.18753
Related Identifier https://renkulab.io/p/aiida/materials-cloud-archive/sessions/01JZAQ1T34GEE1S98BV1300FXY/start?archive_url=https://archive.materialscloud.org/api/records/vz6hg-tvd13/files/export_eos_Ge.aiida/content
Related Identifier https://archive.materialscloud.org/communities/mcarchive
Related Identifier https://doi.org/10.24435/materialscloud:93-t0
Metadata Access https://archive.materialscloud.org/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:vz6hg-tvd13
Provenance
Creator Bonacci, Miki; Schüler, Michael; Colonna, Nicola; Marzari, Nicola
Publisher Materials Cloud
Contributor Bonacci, Miki
Publication Year 2026
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
Representation
Language English
Resource Type info:eu-repo/semantics/other
Format application/zip; text/plain; application/json; text/x-python; application/octet-stream
Discipline Materials Science and Engineering