Surface Energy of In-Doped ZnO Studied by PAW+U Method

Abstract:

Article Preview

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 et al., "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

Export:

Price:

$35.00

In order to see related information, you need to Login.

In order to see related information, you need to Login.