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Theoretical study on the relative stability of α-Ga and β-Ga nanowires in carbon nanotubes

Pan Bi-Cai Xu Bo

Theoretical study on the relative stability of α-Ga and β-Ga nanowires in carbon nanotubes

Pan Bi-Cai, Xu Bo
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  • Received Date:  10 April 2008
  • Accepted Date:  12 May 2008
  • Published Online:  20 October 2008

Theoretical study on the relative stability of α-Ga and β-Ga nanowires in carbon nanotubes

  • 1. (1)合肥微尺度物质国家实验室(筹),合肥 230026;中国科学技术大学物理系,合肥 230026; (2)江西师范大学物理与通信电子学院,南昌 330027

Abstract: The stabilities of the gallium nanowires filled in carbon nanotubes (CNTs) have been studied using density functional theory (DFT). The results show that whether in CNTs or in free space, β-Ga nanowires with large sizes are more stable than α-Ga ones. By analyzing the average energies of gallium nanowires as well as the binding energies between gallium nanowires and CNTs, the reasons why not α-Ga but β-Ga is experimentally observed in CNTs are revealed.

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