Theoretical study of the structural and electronic properties of GaSe nanotubes

被引:133
作者
Cote, M [1 ]
Cohen, ML
Chadi, DJ
机构
[1] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA
[2] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA
[3] NEC Res Inst, Princeton, NJ 08540 USA
来源
PHYSICAL REVIEW B | 1998年 / 58卷 / 08期
关键词
D O I
10.1103/PhysRevB.58.R4277
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We predict the formation of GaSe nanotubes from an energetic argument which employs pseudopotential density functional theory methods. The strain energy of GaSe nanotubes is found to be comparable to existing carbon nanotubes. Based on this energetic comparison, we expect GaSe nanotubes with diameters of 40-48 Angstrom to form. The energy gap of these nanotubes is predicted to decrease from the hulk value as the nanotubes get smaller. These calculations demonstrate that the synthesis of GaSe tubes would yield interesting new materials which would allow further studies of the properties of nanotubes and expand their applications.
引用
收藏
页码:R4277 / R4280
页数:4
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