Germanene nanotubes

Hsin Yi Liu; Shih Yang Lin; Vo Khuong Dien; Chi Hsuan Lee; Hai Duong Pham; Thi My Duyen Huynh; Nguyen Thi Han; Ngoc Thanh Thuy Tran; Thi Dieu Hien Nguyen; Wei Bang Li; Ming Fa Lin

doi:10.1016/B978-0-443-15801-8.00021-9

Germanene nanotubes

Hsin Yi Liu, Shih Yang Lin, Vo Khuong Dien, Chi Hsuan Lee, Hai Duong Pham, Thi My Duyen Huynh, Nguyen Thi Han, Ngoc Thanh Thuy Tran, Thi Dieu Hien Nguyen, Wei Bang Li, Ming Fa Lin

Research output: Chapter in Book/Report/Conference proceeding › Chapter

Abstract

In this chapter, the various electronic properties of germanium nanotubes (GeNTs) were investigated by the density functional theory. The cooperative and competitive relationships between the chiral angle, periodic boundary conditions, and multi-orbital hybridizations create unusual narrow gaps and quasi-flat bands in the ultra-small armchair and zigzag tubes, respectively. The features varied dramatically with tube radii. Armchair GeNTs (aGeNTs) have an indirect-to-direct band gap transition as their radius is increased to a particular value, while zigzag GeNTs (zGeNTs) present a metalsemiconductor transition. The projected density of states was used to elucidate the critical transitions, and the evolution of p and s orbital mixing states during the process are discussed in detail. The information presented here provides a better understanding of the essential properties of GeNTs.

Original language	English
Title of host publication	Fundamental Physicochemical Properties of Germanene-related Materials
Publisher	Elsevier
Pages	319-342
Number of pages	24
ISBN (Electronic)	9780443158018
ISBN (Print)	9780443158025
DOIs	https://doi.org/10.1016/B978-0-443-15801-8.00021-9
Publication status	Published - 2023 Jan 1

All Science Journal Classification (ASJC) codes

General Engineering
General Materials Science

Access to Document

10.1016/B978-0-443-15801-8.00021-9

Cite this

@inbook{d4dca227397d4f38b9317c7e88e784e6,

title = "Germanene nanotubes",

abstract = "In this chapter, the various electronic properties of germanium nanotubes (GeNTs) were investigated by the density functional theory. The cooperative and competitive relationships between the chiral angle, periodic boundary conditions, and multi-orbital hybridizations create unusual narrow gaps and quasi-flat bands in the ultra-small armchair and zigzag tubes, respectively. The features varied dramatically with tube radii. Armchair GeNTs (aGeNTs) have an indirect-to-direct band gap transition as their radius is increased to a particular value, while zigzag GeNTs (zGeNTs) present a metalsemiconductor transition. The projected density of states was used to elucidate the critical transitions, and the evolution of p and s orbital mixing states during the process are discussed in detail. The information presented here provides a better understanding of the essential properties of GeNTs.",

author = "Liu, {Hsin Yi} and Lin, {Shih Yang} and Dien, {Vo Khuong} and Lee, {Chi Hsuan} and Pham, {Hai Duong} and {Duyen Huynh}, {Thi My} and Han, {Nguyen Thi} and {Thuy Tran}, {Ngoc Thanh} and {Hien Nguyen}, {Thi Dieu} and Li, {Wei Bang} and Lin, {Ming Fa}",

year = "2023",

month = jan,

day = "1",

doi = "10.1016/B978-0-443-15801-8.00021-9",

language = "English",

isbn = "9780443158025",

pages = "319--342",

booktitle = "Fundamental Physicochemical Properties of Germanene-related Materials",

publisher = "Elsevier",

address = "Netherlands",

}

TY - CHAP

T1 - Germanene nanotubes

AU - Liu, Hsin Yi

AU - Lin, Shih Yang

AU - Dien, Vo Khuong

AU - Lee, Chi Hsuan

AU - Pham, Hai Duong

AU - Duyen Huynh, Thi My

AU - Han, Nguyen Thi

AU - Thuy Tran, Ngoc Thanh

AU - Hien Nguyen, Thi Dieu

AU - Li, Wei Bang

AU - Lin, Ming Fa

PY - 2023/1/1

Y1 - 2023/1/1

N2 - In this chapter, the various electronic properties of germanium nanotubes (GeNTs) were investigated by the density functional theory. The cooperative and competitive relationships between the chiral angle, periodic boundary conditions, and multi-orbital hybridizations create unusual narrow gaps and quasi-flat bands in the ultra-small armchair and zigzag tubes, respectively. The features varied dramatically with tube radii. Armchair GeNTs (aGeNTs) have an indirect-to-direct band gap transition as their radius is increased to a particular value, while zigzag GeNTs (zGeNTs) present a metalsemiconductor transition. The projected density of states was used to elucidate the critical transitions, and the evolution of p and s orbital mixing states during the process are discussed in detail. The information presented here provides a better understanding of the essential properties of GeNTs.

AB - In this chapter, the various electronic properties of germanium nanotubes (GeNTs) were investigated by the density functional theory. The cooperative and competitive relationships between the chiral angle, periodic boundary conditions, and multi-orbital hybridizations create unusual narrow gaps and quasi-flat bands in the ultra-small armchair and zigzag tubes, respectively. The features varied dramatically with tube radii. Armchair GeNTs (aGeNTs) have an indirect-to-direct band gap transition as their radius is increased to a particular value, while zigzag GeNTs (zGeNTs) present a metalsemiconductor transition. The projected density of states was used to elucidate the critical transitions, and the evolution of p and s orbital mixing states during the process are discussed in detail. The information presented here provides a better understanding of the essential properties of GeNTs.

UR - http://www.scopus.com/inward/record.url?scp=85163463487&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85163463487&partnerID=8YFLogxK

U2 - 10.1016/B978-0-443-15801-8.00021-9

DO - 10.1016/B978-0-443-15801-8.00021-9

M3 - Chapter

AN - SCOPUS:85163463487

SN - 9780443158025

SP - 319

EP - 342

BT - Fundamental Physicochemical Properties of Germanene-related Materials

PB - Elsevier

ER -

Germanene nanotubes

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this