Electronic Structure of Adsorbed Trimethylaluminum on Clean Si(100) Surfaces

Abstract

ABSTRACTThe electronic structure of dimerized trimethylaluminum (TMA), Al2(CH3)6. adsorbed on Si(100) surfaces has been investigated using molecular orbital (MO) calculations based on a cluster description of TMA/Si(100). The calculated results suggest that the interactions between TMA and the Si(100) surface are described by overlap of the TMA electron-deficient bond and Si surface dangling-bond orbitals. The electron-deficient bond orbital is the highest occupied MO of TMA and acts as an electron acceptor for charge transfer from a surface Si atom to TMA consistent with observed core-level and valence photoelectron spectra.