Simulations of iodine adsorbed Ge(0 0 1) surface and its STM images

A layer of iodine at Ge(0 0 1) surface develops an ordered structure of iodine atoms bound to Ge dimers. Here are discussed atomic structures of Ge(0 0 1) surface covered by 0.25 monolayer of iodine. The p( 2 × 4 ), p( 2 × 2 ), c( 2 × 4 ) and p( 1 × 4 ) surface structures are found in calculations....

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Veröffentlicht in:	Applied surface science 2008-05, Vol.254 (14), p.4380-4385
1. Verfasser:	Stankiewicz, B.
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Density functional calculations Density functional theory, local density approximation Electron states Exact sciences and technology Germanium Methods of electronic structure calculations Physics Solid surfaces and solid-solid interfaces STM images Surface relaxation and reconstruction Surface structure and topography Surfaces and interfaces thin films and whiskers (structure and nonelectronic properties)
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Beschreibung
Zusammenfassung:	A layer of iodine at Ge(0 0 1) surface develops an ordered structure of iodine atoms bound to Ge dimers. Here are discussed atomic structures of Ge(0 0 1) surface covered by 0.25 monolayer of iodine. The p( 2 × 4 ), p( 2 × 2 ), c( 2 × 4 ) and p( 1 × 4 ) surface structures are found in calculations. The structure with two iodine atoms of the dissociated I 2 molecule adsorbed at both ends of the same germanium dimer is found to be energetically favourable over iodine adsorption at neighbouring dimers. Simulated STM images of the obtained surface structures are presented and compared with experimental data.
ISSN:	0169-4332 1873-5584
DOI:	10.1016/j.apsusc.2008.01.055