Tubular structures of silicon -: art. no. 193409

被引:145
作者
Seifert, G [1 ]
Köhler, T
Urbassek, HM
Hernández, E
Frauenheim, T
机构
[1] Univ Gesamthsch Paderborn, D-33098 Paderborn, Germany
[2] Univ Kaiserslautern, Fachbereich Phys, D-67663 Kaiserslautern, Germany
[3] Univ Autonoma Barcelona, Inst Ciencia Mat Barcelona, E-08193 Barcelona, Spain
来源
PHYSICAL REVIEW B | 2001年 / 63卷 / 19期
关键词
D O I
10.1103/PhysRevB.63.193409
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
In this paper we demonstrate, using density-functional tight-binding theory, that certain classes of silicon-based tubular nanostructures are stable and energetically viable. Specifically, we consider silicide and SiH nanotubes. The structures adopted by these nanotubes are very similar to those of previously reported phosphorus nanotubes. As in that case, the Si-based nanotubes have a semiconducting gap, which in contrast to carbon nanotubes is largely independent of the tube diameter and chirality. We further report on the mechanical properties of the Si-based nanotubes and suggest possible routes towards their synthesis.
引用
收藏
页数:4
相关论文
共 22 条
[1]  
[Anonymous], FORTSCHR CHEM FORSCH
[2]   Can one design Zintl anions? Contributions from the system Sr/Mg/Si to the topic Si2- [J].
Currao, A ;
Curda, J ;
Nesper, R .
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 1996, 622 (01) :85-94
[3]   Structure and optical properties of the planar silicon compounds polysilane and Wohler siloxene [J].
DettlaffWeglikowska, U ;
Honle, W ;
MolassiotiDohms, A ;
Finkbeiner, S ;
Weber, J .
PHYSICAL REVIEW B, 1997, 56 (20) :13132-13140
[4]   CARBON-FIBERS BASED ON C-60 AND THEIR SYMMETRY [J].
DRESSELHAUS, MS ;
DRESSELHAUS, G ;
SAITO, R .
PHYSICAL REVIEW B, 1992, 45 (11) :6234-6242
[5]   Ab initio calculations for a hypothetical material:: Silicon nanotubes [J].
Fagan, SB ;
Baierle, RJ ;
Mota, R ;
da Silva, AJR ;
Fazzio, A .
PHYSICAL REVIEW B, 2000, 61 (15) :9994-9996
[6]   DENSITY-FUNCTIONAL-BASED CONSTRUCTION OF TRANSFERABLE NONORTHOGONAL TIGHT-BINDING POTENTIALS FOR SI AND SIH [J].
FRAUENHEIM, T ;
WEICH, F ;
KOHLER, T ;
UHLMANN, S ;
POREZAG, D ;
SEIFERT, G .
PHYSICAL REVIEW B, 1995, 52 (15) :11492-11501
[7]   Tight-binding modelling of materials [J].
Goringe, CM ;
Bowler, DR ;
Hernandez, E .
REPORTS ON PROGRESS IN PHYSICS, 1997, 60 (12) :1447-1512
[8]   PREPARATION OF LAYERED (SIH)N AND (SIF)N RESP [J].
HENGGE, E ;
OLBRICH, G .
MONATSHEFTE FUR CHEMIE, 1970, 101 (04) :1068-&
[9]   Elastic properties of C and BxCyNz composite nanotubes [J].
Hernandez, E ;
Goze, C ;
Bernier, P ;
Rubio, A .
PHYSICAL REVIEW LETTERS, 1998, 80 (20) :4502-4505
[10]   Controlled growth and electrical properties of heterojunctions of carbon nanotubes and silicon nanowires [J].
Hu, JT ;
Ouyang, M ;
Yang, PD ;
Lieber, CM .
NATURE, 1999, 399 (6731) :48-51