Ab initio prediction of stable boron sheets and boron nanotubes: Structure, stability, and electronic properties

Rapid Communication

Ab initio prediction of stable boron sheets and boron nanotubes: Structure, stability, and electronic properties

Xiaobao Yang, Yi Ding, and Jun Ni

Phys. Rev. B 77, 041402(R) – Published 2 January 2008

Abstract

Using first-principles calculations, we predict a novel stable boron sheet and boron nanotubes which show various electronic properties. The boron sheet is flat and has the structure that the two centers of each three hexagons in the hexagonal lattice are filled with additional atoms, which preserves the symmetry of the triangular lattice. The boron sheet is metal, and there are bands similar to the $π$ bands in the graphene near the Fermi level. Rolled from the sheet, the nanotubes with diameter larger than $17 Å$ are metals. Smaller nanotubes are semiconductors with the gap decreasing as the diameter and chiral angle increase.

Received 19 June 2007

DOI:https://doi.org/10.1103/PhysRevB.77.041402

Authors & Affiliations

Xiaobao Yang, Yi Ding, and Jun Ni^*

Department of Physics and Key Laboratory of Atomic and Molecular Nanoscience (Ministry of Education), Tsinghua University, Beijing 100084, People’s Republic of China

^*junni@mail.tsinghua.edu.cn

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand

Issue

Vol. 77, Iss. 4 — 15 January 2008

Reuse & Permissions

Access Options

Author publication services for translation and copyediting assistance advertisement

Physical Review B

covering condensed matter and materials physics