Bulletin of the American Physical Society
APS March Meeting 2021
Volume 66, Number 1
Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA
Session H71: Poster Session I (2:00pm - 4:00pm)
2:00 PM,
Tuesday, March 16, 2021
Abstract: H71.00336 : Unfolding the band structure of hexagonal SixGe1-x alloys*
Presenter:
Christopher Broderick
(Tyndall National Institute)
Author:
Christopher Broderick
(Tyndall National Institute)
When grown in the lonsdaleite (hexagonal diamond) phase Ge possesses a "pseudo-direct" band gap of ≈0.35 eV [1]. The narrow band gap of hexagonal Ge can be increased via Si incorporation in hexagonal SixGe1-x alloys, which retain a pseudo-direct band gap up to x≈30%. Recent fabrication of high-quality hexagonal SixGe1-x nanowires has led to experimental demonstration of room temperature direct-gap-like light emission [2].
We theoretically investigate the electronic properties of hexagonal SixGe1-x alloys. Using density functional theory we compute the alloy electronic structure across the full composition range, and quantify the evolution of the alloy band gap via zone unfolding. Our results provide fundamental insight into this emerging material, and quantify its potential for photonics applications.
[1] C. Rödl et al, Phys. Rev. Materials 3, 034602 (2019)
[2] E. M. T. Falady et al, Nature 580, 205 (2020)
*This work was support by the National University of Ireland (Post-Doctoral Fellowship in the Sciences) and by Science Foundation Ireland (project no. 15/IA/3082).
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