TY - JOUR
T1 - Investigation of hydrogen chemisorption on GaAs (111)A Ga surface by in situ monitoring and ab initio calculation
AU - Matsuo, Yuriko
AU - Nimura, Mikihiko
AU - Koukitu, Akinori
AU - Kumagai, Yoshinao
AU - Seki, Hisashi
AU - Takami, Seiichi
AU - Kubo, Momoji
AU - Miyamoto, Akira
PY - 2000/11
Y1 - 2000/11
N2 - Hydrogen chemisorption on the GaAs (111)A Ga surface is investigated under atmospheric pressure using an in situ optical monitoring system which consists of GaAs halogen transport atomic layer epitaxy (ALE) and surface photoabsorption (SPA) systems. The results of the in situ monitoring indicate the existence of a stable hydrogen-terminated surface. It is shown that hydrogen in the carrier gas reacts dissociatively with the (111)A Ga surface, and the relationship between the surface hydrogen coverage and hydrogen partial pressure is explained well by the Langmuir isotherm with dissociation. Atomic configuration on the surface is examined further by means of ab initio molecular dynamics calculation. The total energy change due to the calculated process is very close to the standard enthalpy of adsorption obtained by the experiment.
AB - Hydrogen chemisorption on the GaAs (111)A Ga surface is investigated under atmospheric pressure using an in situ optical monitoring system which consists of GaAs halogen transport atomic layer epitaxy (ALE) and surface photoabsorption (SPA) systems. The results of the in situ monitoring indicate the existence of a stable hydrogen-terminated surface. It is shown that hydrogen in the carrier gas reacts dissociatively with the (111)A Ga surface, and the relationship between the surface hydrogen coverage and hydrogen partial pressure is explained well by the Langmuir isotherm with dissociation. Atomic configuration on the surface is examined further by means of ab initio molecular dynamics calculation. The total energy change due to the calculated process is very close to the standard enthalpy of adsorption obtained by the experiment.
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U2 - 10.1143/jjap.39.6174
DO - 10.1143/jjap.39.6174
M3 - Article
AN - SCOPUS:0034317727
SN - 0021-4922
VL - 39
SP - 6174
EP - 6179
JO - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes
JF - Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes
IS - 11
ER -