Tubular form of aluminates with metallic conduction: Density-functional calculations

Hyun-Min Hong, Yong-Ju Kang, C.-Y. Moon, K. J. Chang, and Hae Jin Kim
Phys. Rev. B 72, 205435 – Published 21 November 2005

Abstract

Based on first-principles theoretical calculations, we propose a tubular structure of aluminates, which exhibit metallic conduction and are energetically stable in the form of AlO2, with fewer strain energies compared with MoS2 nanotubes with similar diameters. The stability of AlO2 nanotubes is also maintained with Li doping inside the tube cavity. For zigzag nanotubes with small diameters, more electron conduction occurs through the outer O shell with longer Al-O bonds, while the whole tube wall contributes to electron conduction for large diameter tubes or armchair tubes, which have similar inner and outer Al-O bond lengths. We suggest that conducting aluminate nanotubes can be promising materials for nanoscale electronic devices.

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  • Received 22 May 2005

DOI:https://doi.org/10.1103/PhysRevB.72.205435

©2005 American Physical Society

Authors & Affiliations

Hyun-Min Hong, Yong-Ju Kang, C.-Y. Moon, and K. J. Chang

  • Department of Physics, Korea Advanced Institute of Science and Technology, Daejeon 305-701, Korea

Hae Jin Kim

  • Korea Basic Science Institute, Daejeon 350-333, Korea

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Issue

Vol. 72, Iss. 20 — 15 November 2005

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