Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 11198-11200 |
| Number of pages | 3 |
| Journal | Physical Review B |
| Volume | 51 |
| Issue number | 16 |
| DOIs | |
| Publication status | Published - 1995 Dec 1 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Condensed Matter Physics
Cite this
Stability and dynamics of surface vacancies on GaAs(110). / Yi, Jae Yel; Ha, Jeong Sook; Park, Seong Ju; Lee, El Hang.
In: Physical Review B, Vol. 51, No. 16, 01.12.1995, p. 11198-11200.Research output: Contribution to journal › Article
}
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
PY - 1995/12/1
Y1 - 1995/12/1
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.
UR - http://www.scopus.com/inward/record.url?scp=0000832082&partnerID=8YFLogxK
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U2 - 10.1103/PhysRevB.51.11198
DO - 10.1103/PhysRevB.51.11198
M3 - Article
VL - 51
SP - 11198
EP - 11200
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 16
ER -