A theoretical approach to the single-source precursor concept: quantum chemical modeling of gas-phase reactions

Results of extensive quantum-chemical modeling of the gas-phase reactions d uring CVD of group 13-15 materials are discussed in the light of single-sou rce precursor concept. Two quantitative parameters (donor-acceptor bond dis sociation enthalpy and elimination reaction enthalpy) are introduced as cri teria for the classification of potential candidates for the single-source precursors. Hydrogen-containing molecules are predicted to have higher impo rtance as precursors for the stoichiometry-controlled CVD processes. Import ance of the ring and cluster single-source precursors in the CVD of doped m etal nitrides is emphasized, In contrast, P, As-containing precursors with metal-halide bonds are predicted to be inefficient. (C) 2001 Published by E lsevier Science B.V.