On the electronic structure of WS2 nanotubes

被引：120

作者：

Seifert, G ^{[1
]}

Terrones, H

Terrones, M

Jungnickel, G

Frauenheim, T

机构：

[1] Univ Gesamthsch Paderborn, D-33098 Paderborn, Germany

[2] Univ Sussex, Sch Chem Phys & Environm Sci, Brighton BN1 9QJ, E Sussex, England

[3] Univ Nacl Autonoma Mexico, Inst Fis, Lab Juriquilla, Queretaro 76000, Mexico

来源：

SOLID STATE COMMUNICATIONS | 2000年 / 114卷 / 05期

关键词：

nanostructures; semiconductors; electronic band structure;

D O I：

10.1016/S0038-1098(00)00047-8

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Electronic properties of WS2 nanotubes have been studied using the Density Functional Based Tight Binding method (DFTB). We show that WS2 nanotubes are all semiconducting possessing a non zero moderate gap. Only for zig-zag (n, 0) nanotubes the band gap tends to vanish for very small tube diameters (< 10 Angstrom). The (n, n) tubes exhibit an indirect gap of similar size as the direct gap in (n, 0) nanotubes of comparable diameter. (C) 2000 Elsevier Science Ltd. All rights reserved.

引用

页码：245 / 248

页数：4

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