TY - JOUR
T1 - Stability and dynamics of surface vacancies on GaAs(110)
AU - Yi, Jae Yel
AU - Ha, Jeong Sook
AU - Park, Seong Ju
AU - Lee, El Hang
N1 - Copyright:
Copyright 2015 Elsevier B.V., All rights reserved.
PY - 1995
Y1 - 1995
N2 - Ab initio total-energy calculations have been performed for the energetics and diffusion of surface vacancies on GaAs(110). The energies required to evaporate a Ga atom, an As atom, and a GaAs dimer are 4.9, 5.4, and 6.5 eV, respectively, in the neutral state. After evaporations, relaxations of the surface are substantial. The vacancies favor negatively charged states. The diffusion of the vacancies was examined by calculating the potential-barrier heights.
AB - Ab initio total-energy calculations have been performed for the energetics and diffusion of surface vacancies on GaAs(110). The energies required to evaporate a Ga atom, an As atom, and a GaAs dimer are 4.9, 5.4, and 6.5 eV, respectively, in the neutral state. After evaporations, relaxations of the surface are substantial. The vacancies favor negatively charged states. The diffusion of the vacancies was examined by calculating the potential-barrier heights.
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U2 - 10.1103/PhysRevB.51.11198
DO - 10.1103/PhysRevB.51.11198
M3 - Article
AN - SCOPUS:0000832082
VL - 51
SP - 11198
EP - 11200
JO - Physical Review B
JF - Physical Review B
SN - 0163-1829
IS - 16
ER -