Paper Title:
Surface Energy of In-Doped ZnO Studied by PAW+U Method
  Abstract

Surface energies of indium doped ZnO were calculated to explain the polarized growth of ZnO nanodisks due to indium doping. Calculation results show that the surface energy of ZnO (0001) surface is much larger than that of ZnO (10 1 0) surface, leading to a preferred growth direction of [0001] for pure ZnO. At a doping rate of 1/8, the surface energies of indium doped ZnO are greatly reduced, but the surface energy of (0001) surface is still larger than that of (10 1 0) surface. At a doping rate of 1/4, the surface energies are decreased further, and the surface energy of (0001) surface is lower than that of (10 1 0) surface. Hence, growth of ZnO along [10 1 0] direction is made possible by heavy indium doping.

  Info
Periodical
Materials Science Forum (Volumes 561-565)
Main Theme
Edited by
Young Won Chang, Nack J. Kim and Chong Soo Lee
Pages
1861-1864
DOI
10.4028/www.scientific.net/MSF.561-565.1861
Citation
Y. S. Gu, J. J. Qi, Y. Zhang, "Surface Energy of In-Doped ZnO Studied by PAW+U Method", Materials Science Forum, Vols. 561-565, pp. 1861-1864, 2007
Online since
October 2007
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Price
$32.00
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