Eur. Phys. J. B 73, 75-78 (2010)
https://doi.org/10.1140/epjb/e2009-00406-x

First-principles study of Sr adsorption on InN (0001)

¹ Nanjing National Laboratory of Microstructures, Laboratory of Solid State Microstructures, Department of Physics, Nanjing University, 210093 Nanjing, P.R. China
² Department of Physics, Zhengzhou Teachers College, Zhengzhou, 450044 Henan, P.R. China
³ College of Science, Nanjing University of Aeronautics and Astronautics, 210016 Nanjing, P.R. China

Corresponding author: xswu@nju.edu.cn

Received: 8 May 2009
Revised: 17 June 2009
Published online: 1 December 2009

Abstract

Structures of Sr adsorbed on InN (0001) surfaces are theoretically investigated by first-principles calculations. The adsorption energies of Sr on InN (0001) decrease with decreasing Sr coverage. An InN (0001)-(2×2) surface structure covered by a 1/4 monolayer of Sr at the T₄ sites may be the most energetically favourable. Sr atoms may substitute indium atoms, or accumulate at the voids inside InN films. The interstitial Sr defects may act as a potential source of compensation for the p-type behaviour of Sr-doped InN at the surface.