Abstract
The mechanism of dissociative adsorption of silane on nondoped Si(100)-(2×1) and boron-doped Si(100) substrates has been studied by an empirical quantum chemistry calculation method. It is found that the energy barriers on the reaction path for the boron-doped Si(100) are somewhat larger than those for the nondoped Si(100). Calculation of the desorption energy of hydrogen molecule from the hydride surfaces of these nondoped and boron-doped Si(100) substrates shows that B–B–H formation enhances the desorption energy compared with that in the nondoped Si(100). The calculation explains well our experimental studies on Si film growth kinetics by ultrahigh vacuum chemical vapor deposition with disilane as the source gas.
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