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Surface Stability and Growth Kinetics of Compound Semiconductors: An Ab Initio-Based Approach

Research Institute for Applied Mechanics, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580, Japan
Department of Physics Engineering, Mie University, 1577 Kurima-Machiya, Tsu 514-8507, Japan
Institute of Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577, Japan
Department of Physics, Faculty of Science, Chiba University, 1-33 Yayoi, Inage, Chiba 263-8522, Japan
Author to whom correspondence should be addressed.
Materials 2013, 6(8), 3309-3360;
Received: 27 June 2013 / Accepted: 30 July 2013 / Published: 6 August 2013
(This article belongs to the Special Issue Compound Semiconductor Materials)
We review the surface stability and growth kinetics of III-V and III-nitride semiconductors. The theoretical approach used in these studies is based on ab initio calculations and includes gas-phase free energy. With this method, we can investigate the influence of growth conditions, such as partial pressure and temperature, on the surface stability and growth kinetics. First, we examine the feasibility of this approach by comparing calculated surface phase diagrams of GaAs(001) with experimental results. In addition, the Ga diffusion length on GaAs(001) during molecular beam epitaxy is discussed. Next, this approach is systematically applied to the reconstruction, adsorption and incorporation on various nitride semiconductor surfaces. The calculated results for nitride semiconductor surface reconstructions with polar, nonpolar, and semipolar orientations suggest that adlayer reconstructions generally appear on the polar and the semipolar surfaces. However, the stable ideal surface without adsorption is found on the nonpolar surfaces because the ideal surface satisfies the electron counting rule. Finally, the stability of hydrogen and the incorporation mechanisms of Mg and C during metalorganic vapor phase epitaxy are discussed. View Full-Text
Keywords: ab initio calculation; compound semiconductor; surface phase diagram ab initio calculation; compound semiconductor; surface phase diagram
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Kangawa, Y.; Akiyama, T.; Ito, T.; Shiraishi, K.; Nakayama, T. Surface Stability and Growth Kinetics of Compound Semiconductors: An Ab Initio-Based Approach. Materials 2013, 6, 3309-3360.

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