Impact of stoichiometry and strain on Ge1−x Sn x alloys from first principles calculations

Impact of stoichiometry and strain on Ge1−x Sn x alloys from first principles calculations

We calculate the electronic structure of germanium-tin (Ge1-x Sn x ) binary alloys for 0 ≤ x ≤ 1 using density functional theory (DFT). Relaxed alloys with semiconducting or semimetallic behaviour as a function of Sn composition x are identified, and the impact of epitaxial strain is investigated by...

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Bibliographic Details
Main Authors: O’Donnell, Conor, Sanchez-Soares, Alfonso, Broderick, Christopher A, Greer, James C
Format: Article
Language:English
Published: 2021
Subjects:
critical thickness; density functional theory; electronic structure; energy band gap; germanium tin alloys; semimetal; semimetal-to-semiconductor transition
Online Access:https://eprints.nottingham.ac.uk/65411/

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