Abstract
We use ab initio Molecular Dynamics to study the structural and electronic properties of cleaved and annealed Ge(111) surfaces. New features emerge for both structures. For the (2x1) it is found that even though the stable state has a {pi}-bonded chain structure, there are two isomers with the tilt angle of the chain in opposite directions. For the c(2x8) we find an asymmetry in the surface unit cell, in agreement with LEED experiments that show weak quarter-order spots. This inequivalence also produces a splitting of the rest atom and adatom dangling bond, which explains recent STM experiments. (author). 15 refs, 3 figs.
Takeuchi, N;
Tosatti, E;
[1]
Selloni, A
[2]
- International Centre for Theoretical Physics, Trieste (Italy)
- International School of Advanced Studies, Trieste (Italy)
Citation Formats
Takeuchi, N, Tosatti, E, and Selloni, A.
First principles calculations for the cleaved and annealed Ge(111) surfaces.
IAEA: N. p.,
1992.
Web.
Takeuchi, N, Tosatti, E, & Selloni, A.
First principles calculations for the cleaved and annealed Ge(111) surfaces.
IAEA.
Takeuchi, N, Tosatti, E, and Selloni, A.
1992.
"First principles calculations for the cleaved and annealed Ge(111) surfaces."
IAEA.
@misc{etde_10126410,
title = {First principles calculations for the cleaved and annealed Ge(111) surfaces}
author = {Takeuchi, N, Tosatti, E, and Selloni, A}
abstractNote = {We use ab initio Molecular Dynamics to study the structural and electronic properties of cleaved and annealed Ge(111) surfaces. New features emerge for both structures. For the (2x1) it is found that even though the stable state has a {pi}-bonded chain structure, there are two isomers with the tilt angle of the chain in opposite directions. For the c(2x8) we find an asymmetry in the surface unit cell, in agreement with LEED experiments that show weak quarter-order spots. This inequivalence also produces a splitting of the rest atom and adatom dangling bond, which explains recent STM experiments. (author). 15 refs, 3 figs.}
place = {IAEA}
year = {1992}
month = {Nov}
}
title = {First principles calculations for the cleaved and annealed Ge(111) surfaces}
author = {Takeuchi, N, Tosatti, E, and Selloni, A}
abstractNote = {We use ab initio Molecular Dynamics to study the structural and electronic properties of cleaved and annealed Ge(111) surfaces. New features emerge for both structures. For the (2x1) it is found that even though the stable state has a {pi}-bonded chain structure, there are two isomers with the tilt angle of the chain in opposite directions. For the c(2x8) we find an asymmetry in the surface unit cell, in agreement with LEED experiments that show weak quarter-order spots. This inequivalence also produces a splitting of the rest atom and adatom dangling bond, which explains recent STM experiments. (author). 15 refs, 3 figs.}
place = {IAEA}
year = {1992}
month = {Nov}
}