Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach

• Published in: Condensed Matter Physics
• Date: 2013
• Main Authors: Jain, S.K., Srivastava, P.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2013
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/120822
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach / S.K. Jain, P. Srivastava // Condensed Matter Physics. — 2013. — Т. 16, № 3. — С. 33802:1-7 . — Бібліогр.: 46 назв. — англ.

An ab initio calculations have been carried out for examining the curvature effect of small diameter hexagonal boron nanotubes. The considered conformations of boron nanotubes are namely armchair (3,3), zigzag (5,0) and chiral (4,2), and consist of 12, 20, and 56 atoms, respectively. The strain ener...