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

研究成果: Chapter

摘要

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.

原文English
主出版物標題Fundamental Physicochemical Properties of Germanene-related Materials
發行者Elsevier
頁面319-342
頁數24
ISBN(電子)9780443158018
ISBN(列印)9780443158025
DOIs
出版狀態Published - 2023 1月 1

All Science Journal Classification (ASJC) codes

  • 工程 (全部)
  • 材料科學(全部)

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