Premium
Quantum chemical study on substituent effect of gas‐phase reactions in III–V nitride semiconductor crystal growth
Author(s) -
Okada Takanobu,
Doi Kentaro,
Nakamura Koichi,
Tachibana Akitomo
Publication year - 2004
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200405087
Subject(s) - steric effects , chemistry , substituent , reactivity (psychology) , adduct , ab initio , computational chemistry , crystallography , medicinal chemistry , stereochemistry , organic chemistry , medicine , alternative medicine , pathology
We have carried out ab initio quantum chemical calculations to discuss the substituent effect of the metal source on the coordination interaction and the reactivity in the gas‐phase parasitic reactions in M( t ‐C 4 H 9 ) 3 /H 2 /NH 3 (M = Al, Ga) systems following the elimination of isobutane. We found that t ‐butyl groups play two important roles: high ability for electron donation leading to large M–N interaction and high bulkiness leading to large steric repulsion. It is expected that the extension of chain adducts obstructing the growth of AlGaN would be suppressed by the steric hindrance due to bulky substituents lifting up the activation energies in the parasitic reactions. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)