Atomic-scale simulation of semimetal-to-semiconductor transition in bismuth nanowires for future generation of nanoelectronic devices

Lida Ansari; Farzan Gity; James C. Greer

doi:10.1109/NANO.2016.7751390

Atomic-scale simulation of semimetal-to-semiconductor transition in bismuth nanowires for future generation of nanoelectronic devices

Lida Ansari, Farzan Gity, James C. Greer

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

Abstract

In this paper we present first principle study on bismuth nanowires (BiNWs) with few nanometers in diameter which indicates that along trigonal crystallographic orientation a large bandgap in the order of few electron-volts is achievable due to quantum confinement. It is shown that there is a considerable dependency of the bandgap opening and surface reconstruction on the orientation. The results of density functional theory (DFT) are calibrated with Green's function screened Coulomb interaction (GW) corrections in this paper for the first time. We also report that for BiNWs with diameter less than 5 nm, the electron and hole effective masses are modified significantly in comparison with the values of bulk bismuth.

Original language	English
Title of host publication	16th International Conference on Nanotechnology - IEEE NANO 2016
Publisher	Institute of Electrical and Electronics Engineers Inc.
Pages	963-965
Number of pages	3
ISBN (Electronic)	9781509039142
DOIs	https://doi.org/10.1109/NANO.2016.7751390
Publication status	Published - 21 Nov 2016
Externally published	Yes
Event	16th IEEE International Conference on Nanotechnology - IEEE NANO 2016 - Sendai, Japan Duration: 22 Aug 2016 → 25 Aug 2016

Publication series

Name	16th International Conference on Nanotechnology - IEEE NANO 2016

Conference

Conference	16th IEEE International Conference on Nanotechnology - IEEE NANO 2016
Country/Territory	Japan
City	Sendai
Period	22/08/16 → 25/08/16

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics

Access to Document

10.1109/NANO.2016.7751390

Cite this

Ansari, L., Gity, F., & Greer, J. C. (2016). Atomic-scale simulation of semimetal-to-semiconductor transition in bismuth nanowires for future generation of nanoelectronic devices. In 16th International Conference on Nanotechnology - IEEE NANO 2016 (pp. 963-965). Article 7751390 (16th International Conference on Nanotechnology - IEEE NANO 2016). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/NANO.2016.7751390

Ansari, Lida ; Gity, Farzan ; Greer, James C. / Atomic-scale simulation of semimetal-to-semiconductor transition in bismuth nanowires for future generation of nanoelectronic devices. 16th International Conference on Nanotechnology - IEEE NANO 2016. Institute of Electrical and Electronics Engineers Inc., 2016. pp. 963-965 (16th International Conference on Nanotechnology - IEEE NANO 2016).

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title = "Atomic-scale simulation of semimetal-to-semiconductor transition in bismuth nanowires for future generation of nanoelectronic devices",

abstract = "In this paper we present first principle study on bismuth nanowires (BiNWs) with few nanometers in diameter which indicates that along trigonal crystallographic orientation a large bandgap in the order of few electron-volts is achievable due to quantum confinement. It is shown that there is a considerable dependency of the bandgap opening and surface reconstruction on the orientation. The results of density functional theory (DFT) are calibrated with Green's function screened Coulomb interaction (GW) corrections in this paper for the first time. We also report that for BiNWs with diameter less than 5 nm, the electron and hole effective masses are modified significantly in comparison with the values of bulk bismuth.",

author = "Lida Ansari and Farzan Gity and Greer, {James C.}",

note = "Publisher Copyright: {\textcopyright} 2016 IEEE.; 16th IEEE International Conference on Nanotechnology - IEEE NANO 2016 ; Conference date: 22-08-2016 Through 25-08-2016",

year = "2016",

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Ansari, L, Gity, F & Greer, JC 2016, Atomic-scale simulation of semimetal-to-semiconductor transition in bismuth nanowires for future generation of nanoelectronic devices. in 16th International Conference on Nanotechnology - IEEE NANO 2016., 7751390, 16th International Conference on Nanotechnology - IEEE NANO 2016, Institute of Electrical and Electronics Engineers Inc., pp. 963-965, 16th IEEE International Conference on Nanotechnology - IEEE NANO 2016, Sendai, Japan, 22/08/16. https://doi.org/10.1109/NANO.2016.7751390

Atomic-scale simulation of semimetal-to-semiconductor transition in bismuth nanowires for future generation of nanoelectronic devices. / Ansari, Lida; Gity, Farzan; Greer, James C.
16th International Conference on Nanotechnology - IEEE NANO 2016. Institute of Electrical and Electronics Engineers Inc., 2016. p. 963-965 7751390 (16th International Conference on Nanotechnology - IEEE NANO 2016).

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

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AB - In this paper we present first principle study on bismuth nanowires (BiNWs) with few nanometers in diameter which indicates that along trigonal crystallographic orientation a large bandgap in the order of few electron-volts is achievable due to quantum confinement. It is shown that there is a considerable dependency of the bandgap opening and surface reconstruction on the orientation. The results of density functional theory (DFT) are calibrated with Green's function screened Coulomb interaction (GW) corrections in this paper for the first time. We also report that for BiNWs with diameter less than 5 nm, the electron and hole effective masses are modified significantly in comparison with the values of bulk bismuth.

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Ansari L, Gity F, Greer JC. Atomic-scale simulation of semimetal-to-semiconductor transition in bismuth nanowires for future generation of nanoelectronic devices. In 16th International Conference on Nanotechnology - IEEE NANO 2016. Institute of Electrical and Electronics Engineers Inc. 2016. p. 963-965. 7751390. (16th International Conference on Nanotechnology - IEEE NANO 2016). doi: 10.1109/NANO.2016.7751390

Atomic-scale simulation of semimetal-to-semiconductor transition in bismuth nanowires for future generation of nanoelectronic devices

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