Ab initio molecular orbital characterization of dimethyl group-III azides as sources for photolytic production of free radical beams

Abstract

Use of a beam of biradicaloid such as dialkyl group-III nitrene produced by the method of photodissociation of energetic compound beams (PDECB) is expected to be advantageous to the low-temperature thin-film growth of stoichiometric group-III nitride. Through the clarification of fundamental processes involved in pyrolysis as well as photolysis of dimethylgallium azide [(CH3)2GaN3], dimethylaluminum azide [(CH3)2AlN3], and dimethylboron azide [(CH3)2BN3] based on post-self-consistent field ab initio molecular orbital methods, we discuss the suitability of these possible source compounds for the production of beams of dimethylgalliumnitrene [(CH3)2GaN], dimethylaluminumnitrene [(CH3)2AlN], and dimethylboronnitrene [(CH3)2BN] by the PDECB method. The theoretical results suggested that (CH3)2GaN3 is a promising PDECB source material in that this molecule possesses the nature of unimolecular metastable dye.

Mixed Guanidinato/Alkylimido/Azido Tungsten(VI) Complexes: Synthesis and Structural Characterization

“…However, organic azides are wellknown to produce nitrenes by photolytic denitrogenation, which causes a variety of subsequent insertion reactions. [26][27][28][29] A detailed study of the photochemistry of 5 and 8 is underway. We have investigated the thermal decomposition of related bis-azido precursors for metal nitrides in much detail choosing MOCVD of GaN from compounds of the type (N 3 ) 2 GaR (R ) (CH 2 ) 3 NMe 2 ) and other alkyl ligands capable of intramolecular adduct formation as examples.…”

<title>A simple method to monitor the beam flux of neutral free radicals produced by photo-deionization of negative ion beams</title>

“…3, the time-averaged photo-deionized-particle flux cP is estimated based on Eq. (4) to be (2.57 O.14)x1014 m2s', yielding the photodetachment efficiency y defined by 2'=•-=-- (5) of 0.146 0.008 % without using the MPDI. The signal-to-noise ( S/N ) ratio is further improved as the photo-detachment efficiency is enhanced, since the noise mainly results from the fluctuation of the ion-source plasma.…”

“…In an application of the PDINIB method to the doping of photo-deionized Cr atoms during the low-temperature epitaxial growth of(Al,Ga)N by a PDECB-based approach [5], we found a possibility that incorporation ofthe Cr atoms into the growing surface of the diluted magnetic semiconductor (Al,Ga,Cr)N is enhanced by the oblique irradiation. A well-collimated neutral free-radical beam of broad diameter is useful in such a case, to reveal the angular-selective surface-reaction mechanism responsible for the epitaxy.…”

A Simple Method to Monitor the Flux of the Neutral Free-Radical Beam Produced by Laser Photo-Deionization of a Negative Ion Beam

“…In an application of the PDINIB method to the doping of photo-deionized Cr atoms during the low-temperature epitaxial growth of (Al,Ga)N by a PDECB-based approach [5], we found a possibility that incorporation of the Cr atoms into the growing surface of the diluted magnetic semiconductor (Al,Ga,Cr)N is enhanced by the oblique irradiation. A well-collimated neutral free-radical beam of broad diameter is useful in such a case, to reveal the angular-selective surface-reaction mechanism responsible for the epitaxy.…”

“…Indeed many approaches to produce neutral free-radical beams have been developed also in the fields of experimental chemistry [1], heating of plasmas for controlled thermonuclear fusion, and experimental simulation of low-earth orbit phenomena [2], but efficient production of the refined beam of neutral free radicals ( RBNR ) in steady flux has not been realized yet. In order to overcome the difficulty we have proposed several experimental production approaches, two of which are photo-deionization of negative ion beams ( PDINIB ) [3,4] and photo-dissociation of energetic compound beams ( PDECB ) [5,6].…”