Multi-scale theory and simulation of direct-gap group-IV semiconductor alloys

Thumbnail Image
Files
Date
2020-07-13
Authors
Broderick, Christopher A.
O'Halloran, Edmond J.
Dunne, Michael D.
Kirwan, Amy C.
Andreev, Aleksey D.
Schulz, Stefan
O'Reilly, Eoin P.
Journal Title
Journal ISSN
Volume Title
Publisher
Institute of Electrical and Electronics Engineers (IEEE)
Published Version
10.1109/SUM48678.2020.9161038
Research Projects
Organizational Units
Journal Issue
Abstract
Alloying of Ge with other group-IV elements - C, Sn or Pb - represents a promising route to realise direct-gap group-IV semiconductors for applications in Si-compatible devices, including light-emitting diodes and lasers, as well as tunnelling field-effect transistors and multi-junction solar cells. To develop a quantitative understanding of the properties and potential of group-IV alloys, we have established a multi-scale simulation framework to enable predictive analysis of their structural and electronic properties. We provide an overview of these simulation capabilities, and describe previously overlooked fundamental aspects of the electronic structure evolution and indirect- to direct-gap transition in (Si)Ge1-x(C, Sn, Pb)x alloys. We further describe ongoing work related to exploiting this simulation platform to compute the optical and transport properties of (Si)Ge1-xSnx alloys and heterostructures.
Description
Keywords
Electronic structure , Elemental semiconductors , Energy gap , Field effect transistors , Germanium alloys , III-V semiconductors , Lead , Light emitting diodes , Semiconductor heterojunctions , Silicon , Solar cells , Tin , Direct-gap group-IV semiconductor alloys , Group-IV elements , Si-compatible devices , Light-emitting diodes , Lasers , Tunnelling field-effect transistors , Multiscale simulation framework , Structural properties , Electronic properties , Multiscale theory , Multijunction solar cells , Group-IV alloys , Electronic structure evolution , Indirect-to-direct-gap transition , Optical properties , Transport properties , C , Pb , SiGe1-xSnx , Photonic band gap , Atom optics , Tunneling , Electric potential , Photonics
Citation
Broderick, C. A., O’Halloran, E. J., Dunne, M. D., Kirwan, A. C., Andreev, A. D., Schulz, S. and O’Reilly, E. P. (2020) 'Multi-scale theory and simulation of direct-gap group-IV semiconductor alloys', 2020 IEEE Photonics Society Summer Topicals Meeting Series (SUM), Cabo San Lucas, Mexico, 13-15 July. doi: 10.1109/SUM48678.2020.9161038
Link to publisher’s version
https://ieeexplore.ieee.org/document/9161038
URI
https://hdl.handle.net/10468/10532
Collections
Tyndall National Institute - Conference Items
Chemistry - Conference Items
Physics - Conference Items
Copyright
© 2020 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes, creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works.