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Structural and Mechanical Properties of Boron Nanotubes

Published online by Cambridge University Press:  01 February 2011

Matthew H. Evans ,
John D. Joannopoulos  and
Sokrates T. Pantelides
Matthew H. Evans
Affiliation:
Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139, U.S.A. Department of Physics and Astronomy, Vanderbilt University, Nashville, TN 37235, U.S.A.
John D. Joannopoulos
Affiliation:
Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139, U.S.A.
Sokrates T. Pantelides
Affiliation:
Department of Physics and Astronomy, Vanderbilt University, Nashville, TN 37235, U.S.A. Solid State Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, U.S.A.
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Abstract

We report the results of first-principles calculations showing that boron can form a wide variety of metastable planar and tubular forms with unusual electronic and mechanical properties. The preferred planar structure is a buckled triangular lattice that breaks the threefold ground state degeneracy of the flat triangular plane. When the plane is rolled into a tube, the ground state degeneracy leads to a strong chirality dependence of the binding energy and elastic response, an unusual property that is not found in carbon nanotubes. The achiral (n, 0) tubes derive their structure from the flat triangular plane. The achiral (n, n) boron nanotubes arise from the buckled plane, and have large cohesive energies and novel structures as a result.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 791: Symposium Q – Mechanical Properties of Nanostructured Materials and Nanocomposites , 2003 , Q9.2
Copyright
Copyright © Materials Research Society 2004

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References

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