@inproceedings{ca0bfa35dab24c08b358acd0c7a3e8f2,
title = "Towards Direct Gap Emission in GeSn and GeC: A Hybrid Functional DFT Analysis",
abstract = "We use density functional theory including Heyd Scuseria Ernzerhof (HSE) hybrid functionals to investigate the electronic structure of Ge1-xSnx and Ge1-yCy supercells. The calculations confirm that a direct gap semiconductor can be obtained in the supercell calculations for low tin (x-6\%) and carbon (y < 1\%) compositions. Further analysis shows strong mixing between Γand L states in the GeSn alloys for x =6.25\%, close to the expected crossover between an indirect and direct gap alloy, while the lowest conduction band in the GeC alloys (y∼ 1\%) also has significant indirect character.",
author = "Kirwan, \{Amy C.\} and Edmond O'Halloran and Broderick, \{Christopher A.\} and Stefan Schulz and O'Reilly, \{Eoin P.\}",
note = "Publisher Copyright: {\textcopyright} 2018 IEEE.; 18th International Conference on Nanotechnology, NANO 2018 ; Conference date: 23-07-2018 Through 26-07-2018",
year = "2018",
month = jul,
day = "2",
doi = "10.1109/NANO.2018.8626242",
language = "English",
series = "Proceedings of the IEEE Conference on Nanotechnology",
publisher = "IEEE Computer Society",
booktitle = "18th International Conference on Nanotechnology, NANO 2018",
address = "United States",
}