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Theoretical study of the structural and electronic properties of GaSe nanotubes

Michel Côté, Marvin L. Cohen, and D. J. Chadi
Phys. Rev. B 58, R4277(R) – Published 15 August 1998
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Abstract

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 Å to form. The energy gap of these nanotubes is predicted to decrease from the bulk 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.

  • Received 6 March 1998

DOI:https://doi.org/10.1103/PhysRevB.58.R4277

©1998 American Physical Society

Authors & Affiliations

Michel Côté and Marvin L. Cohen

  • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720

D. J. Chadi

  • NEC Research Institute, 4 Independence Way, Princeton, New Jersey 08540

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Vol. 58, Iss. 8 — 15 August 1998

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