Title :
Adsorption and Self-Assembly of Alkanethiols on GaAs (001) Surface
Author :
Voznyy, O. ; Dubowski, J.J.
Author_Institution :
Dept. of Electr. Comput. & Eng., Sherbrooke Univ., Que.
Abstract :
Adsorption of alkanethiols on GaAs (001) surface under low coverage and high-coverage conditions was studied using density functional calculations in a periodic supercell approach. The thiolate adsorption site and tilt angle are dictated by the high directionality and covalent character of S-As bond. Calculated sulfur-surface binding energies are found to be significantly different for Ga-rich and As-rich surfaces and stronger than that of thiols on gold and copper surfaces. However the desorption of thiol requires much less energy in the presence of hydrogen on the surface
Keywords :
III-V semiconductors; adsorption; density functional theory; gallium arsenide; monolayers; self-assembly; surface chemistry; GaAs; alkanethiols adsorption; density functional calculations; desorption; periodic supercell approach; self-assembly; sulfur-surface binding energies; thiolate adsorption site; tilt angle; Atomic layer deposition; Bonding; Copper; Gallium arsenide; Geometry; Gold; Hydrogen; Linear discriminant analysis; Self-assembly; Surface reconstruction;
Conference_Titel :
Lasers and Electro-Optics Society, 2006. LEOS 2006. 19th Annual Meeting of the IEEE
Conference_Location :
Montreal, Que.
Print_ISBN :
0-7803-9555-7
Electronic_ISBN :
0-7803-9555-7
DOI :
10.1109/LEOS.2006.279089
