Multi-Scale Electronic Structure Analysis of Direct-Gap Group-IV Alloys: Implications for Device Applications

Christopher A. Broderick; Michael D. Dunne; Amy C. Kirwan; Edmond J. O'Halloran; Eoin P. O'Reilly; Stefan Schulz; Daniel S.P. Tanner

doi:10.1109/GROUP4.2019.8853950

Multi-Scale Electronic Structure Analysis of Direct-Gap Group-IV Alloys: Implications for Device Applications

Christopher A. Broderick
, Michael D. Dunne
, Amy C. Kirwan
, Edmond J. O'Halloran
, Eoin P. O'Reilly
, Stefan Schulz
, Daniel S.P. Tanner

University College Cork

Research output: Chapter in Book/Report/Conference proceedings › Conference proceeding › peer-review

Abstract

We present a comparative theoretical analysis of the group-IV semiconductor alloys Ge_1-x(C, Sn, Pb)_x, and quantify the character and evolution of their electronic structure with composition. Our calculations reveal (i) dilute Ge_1-xC_x admits a quasi-direct band gap, retaining predominantely indirect character, (ii) the indirect-to direct-gap transition in Ge_1-x Sn_x is characterised by strong band mixing, evolving continuously from indirect to direct with increasing x, and (iii) less pronounced band mixing effects characterise Ge_1-xPb_x, with the indirect-to direct-gap transition occurring for Pb compositions close to where the alloy becomes zero-gap. We describe the consequences of these effects for proposed device applications of group-IV alloys.

Original language	English
Title of host publication	GFP 2019 - Group IV Photonics
Publisher	IEEE Computer Society
ISBN (Electronic)	9781728109053
DOIs	https://doi.org/10.1109/GROUP4.2019.8853950
Publication status	Published - Aug 2019
Event	16th IEEE International Conference on Group IV Photonics, GFP 2019 - Singapore, Singapore Duration: 28 Aug 2019 → 30 Aug 2019

Publication series

Name	IEEE International Conference on Group IV Photonics GFP
Volume	2019-August
ISSN (Print)	1949-2081

Conference

Conference	16th IEEE International Conference on Group IV Photonics, GFP 2019
Country/Territory	Singapore
City	Singapore
Period	28/08/19 → 30/08/19

Access to Document

10.1109/GROUP4.2019.8853950

Cite this

Broderick, C. A., Dunne, M. D., Kirwan, A. C., O'Halloran, E. J., O'Reilly, E. P., Schulz, S., & Tanner, D. S. P. (2019). Multi-Scale Electronic Structure Analysis of Direct-Gap Group-IV Alloys: Implications for Device Applications. In GFP 2019 - Group IV Photonics Article 8853950 (IEEE International Conference on Group IV Photonics GFP; Vol. 2019-August). IEEE Computer Society. https://doi.org/10.1109/GROUP4.2019.8853950

@inproceedings{7cac3180a4eb40babe1f594471d6ed0c,

title = "Multi-Scale Electronic Structure Analysis of Direct-Gap Group-IV Alloys: Implications for Device Applications",

abstract = "We present a comparative theoretical analysis of the group-IV semiconductor alloys Ge1-x(C, Sn, Pb)x, and quantify the character and evolution of their electronic structure with composition. Our calculations reveal (i) dilute Ge1-xCx admits a quasi-direct band gap, retaining predominantely indirect character, (ii) the indirect-to direct-gap transition in Ge1-x Snx is characterised by strong band mixing, evolving continuously from indirect to direct with increasing x, and (iii) less pronounced band mixing effects characterise Ge1-xPbx, with the indirect-to direct-gap transition occurring for Pb compositions close to where the alloy becomes zero-gap. We describe the consequences of these effects for proposed device applications of group-IV alloys.",

author = "Broderick, \{Christopher A.\} and Dunne, \{Michael D.\} and Kirwan, \{Amy C.\} and O'Halloran, \{Edmond J.\} and O'Reilly, \{Eoin P.\} and Stefan Schulz and Tanner, \{Daniel S.P.\}",

note = "Publisher Copyright: {\textcopyright} 2019 IEEE.; 16th IEEE International Conference on Group IV Photonics, GFP 2019 ; Conference date: 28-08-2019 Through 30-08-2019",

year = "2019",

month = aug,

doi = "10.1109/GROUP4.2019.8853950",

language = "English",

series = "IEEE International Conference on Group IV Photonics GFP",

publisher = "IEEE Computer Society",

booktitle = "GFP 2019 - Group IV Photonics",

address = "United States",

}

Broderick, CA, Dunne, MD, Kirwan, AC, O'Halloran, EJ, O'Reilly, EP, Schulz, S & Tanner, DSP 2019, Multi-Scale Electronic Structure Analysis of Direct-Gap Group-IV Alloys: Implications for Device Applications. in GFP 2019 - Group IV Photonics., 8853950, IEEE International Conference on Group IV Photonics GFP, vol. 2019-August, IEEE Computer Society, 16th IEEE International Conference on Group IV Photonics, GFP 2019, Singapore, Singapore, 28/08/19. https://doi.org/10.1109/GROUP4.2019.8853950

Multi-Scale Electronic Structure Analysis of Direct-Gap Group-IV Alloys: Implications for Device Applications. / Broderick, Christopher A.; Dunne, Michael D.; Kirwan, Amy C. et al.
GFP 2019 - Group IV Photonics. IEEE Computer Society, 2019. 8853950 (IEEE International Conference on Group IV Photonics GFP; Vol. 2019-August).

Research output: Chapter in Book/Report/Conference proceedings › Conference proceeding › peer-review

TY - GEN

T1 - Multi-Scale Electronic Structure Analysis of Direct-Gap Group-IV Alloys

T2 - 16th IEEE International Conference on Group IV Photonics, GFP 2019

AU - Broderick, Christopher A.

AU - Dunne, Michael D.

AU - Kirwan, Amy C.

AU - O'Halloran, Edmond J.

AU - O'Reilly, Eoin P.

AU - Schulz, Stefan

AU - Tanner, Daniel S.P.

PY - 2019/8

Y1 - 2019/8

N2 - We present a comparative theoretical analysis of the group-IV semiconductor alloys Ge1-x(C, Sn, Pb)x, and quantify the character and evolution of their electronic structure with composition. Our calculations reveal (i) dilute Ge1-xCx admits a quasi-direct band gap, retaining predominantely indirect character, (ii) the indirect-to direct-gap transition in Ge1-x Snx is characterised by strong band mixing, evolving continuously from indirect to direct with increasing x, and (iii) less pronounced band mixing effects characterise Ge1-xPbx, with the indirect-to direct-gap transition occurring for Pb compositions close to where the alloy becomes zero-gap. We describe the consequences of these effects for proposed device applications of group-IV alloys.

AB - We present a comparative theoretical analysis of the group-IV semiconductor alloys Ge1-x(C, Sn, Pb)x, and quantify the character and evolution of their electronic structure with composition. Our calculations reveal (i) dilute Ge1-xCx admits a quasi-direct band gap, retaining predominantely indirect character, (ii) the indirect-to direct-gap transition in Ge1-x Snx is characterised by strong band mixing, evolving continuously from indirect to direct with increasing x, and (iii) less pronounced band mixing effects characterise Ge1-xPbx, with the indirect-to direct-gap transition occurring for Pb compositions close to where the alloy becomes zero-gap. We describe the consequences of these effects for proposed device applications of group-IV alloys.

UR - https://www.scopus.com/pages/publications/85073413732

U2 - 10.1109/GROUP4.2019.8853950

DO - 10.1109/GROUP4.2019.8853950

M3 - Conference proceeding

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T3 - IEEE International Conference on Group IV Photonics GFP

BT - GFP 2019 - Group IV Photonics

PB - IEEE Computer Society

Y2 - 28 August 2019 through 30 August 2019

ER -

Multi-Scale Electronic Structure Analysis of Direct-Gap Group-IV Alloys: Implications for Device Applications

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