Predictive Use of Ab Initio MO Methods In PDECB-Based Approach to Low-Temperature Epitaxy of Stoichiometric Group-III Nitrides

Keiji Hayashi 1Takuo Kanayama Noriyoshi Omote 

1. Advanced Materials Science R&D Center, Kanazawa Institute of Technology (AMS, KIT), 3-1, Yatsukaho, Matto, Ishikawa, Kanazawa 924-0838, Japan


In order to further develop integrated quantum functional devices and nano-electromechanical systems it has become indispensable in recent years to ingeniously utilize selective surface reactions of labile neutral chemical species such as free radicals and organometallic compounds for the device processing. The problem encountered in the experimental study of a chemical reaction between a neutral free radical and a well-characterized material surface is how to sufficiently supply only the desired free radical species onto the surface. We have proposed several experimental methods to produce a steady-flux purified beam of neutral free radicals1). One of them is the method of photo-dissociation of energetic compound beams (PDECB) where a beam of desired neutral free radical species is efficiently produced from a molecular beam of a purified unimolecular metastable dye by wavelength-selective photolysis using a near-UV CW laser2).
With the help of ab initio molecular orbital (MO) methods, we have been developing a novel approach to the growth of defect-free epitaxial films of group-III nitrides1). Use of a molecular beam of organic group-III nitrene characterized from the theoretical point of view not only by the biradicaloid nature, that is to say, two unpaired electrons almost localized at the nitrogen atom but also by the covalently bound pair of one group-III and one nitrogen atoms is advantageous to the low-temperature growth of stoichiometric group-III nitride. The beam of organic group-III nitrene is obtainable by the PDECB method using organic group-III azide as source material.
This work is supported by the Ministry of Education, Science, Sports and Culture, Japan.
1) K. Hayashi et al., J. Vac. Sci. Technol. A 20, 995 (2002).
2) K. Hayashi, Appl. Phys. Lett. 65, 2084 (1994).


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Presentation: poster at E-MRS Fall Meeting 2003, Symposium C, by Keiji Hayashi
See On-line Journal of E-MRS Fall Meeting 2003

Submitted: 2003-06-03 17:49
Revised:   2009-06-08 12:55