Extremely well-resolved Si 2p core-level spectra have been obtained from the clean Si(001) surface. Spectra from the cold c(4x2) and the RT 2x 1 surfaces are very similar, implying that the local structure of the two reconstructions is the same. Shifted components originating from both up and down atoms of asymmetric dimers, as well as second-layer atoms, are identified. The split of -0.55 eV between the two dimer-atom components points to a substantial charge transfer within the dimers. We find no support for the recently proposed crystal-field splitting of the surface components.

We present the atomic structure of the c(8 x 2) reconstructions of InSb-, InAs-, and GaAs-(001) surfaces as determined by surface x-ray diffraction using direct methods. Contrary to common belief, group III dimers are not prominent on the surface, instead subsurface dimerization of group III atoms takes place in the second bilayer, accompanied by a major rearrangement of the surface atoms above the dimers to form linear arrays. By varying the occupancies of four surface sites the (001)-c(8 x 2) reconstructions of III-V semiconductors can be described in a unified model.

The structure of the ͑3 3 1͒ reconstructions of the Si(111) and Ge(111) surfaces induced by adsorption of alkali metals has been determined on the basis of surface x-ray diffraction and low-energy electron diffraction measurements and density functional theory. The ͑3 3 1͒ surface results primarily from the substrate reconstruction and shows a new bonding configuration consisting of consecutive fivefold and sixfold Si (Ge) rings in ͗110͘ projection separated by channels containing the alkali metal atoms. [S0031-9007(98)05973-0] PACS numbers: 61.10.Eq, 61.14. Hg, 68.35.Bs, 71.15.Mb Over the last decade there has been a large effort to understand the structure and properties of reconstructions on elemental semiconductor surfaces. The main driving force behind these reconstructions is the reduction of the number of dangling bonds without introducing too much strain in the surface region. Three structural elements meeting this principle have emerged so far. Particularly important are adatoms which saturate three dangling bonds on (111) surfaces while creating only one unsaturated bond. Adatoms stabilize the clean Ge(111)-c͑2 3 8͒ surface [1] and are also a major stabilizing factor in the dimer-adatom-stacking-fault model of the clean Si͑111͒-͑7 3 7͒ surface [2]. The second structural element that effectively reduces the number of dangling bonds is the dimer frequently found on the (001) surfaces [3]. The third structural element is the p-bonded chain which was first proposed for the clean Si͑111͒-͑2 3 1͒ reconstruction [4]. Yet this simple principle has been of no utility in predicting surface structures as demonstrated by the metal induced ͑3 3 1͒ reconstructions on the (111) surfaces of Si and Ge. Despite the small unit cell, the atomic geometry is still unknown and has been heavily debated over the last ten years [5][6][7][8][9][10][11][12][13]. The mere observation of the symmetry-breaking ͑3 3 1͒ unit cell calls for a unidirectional structural motif and it was, therefore, appealing to introduce p-bonded chains to explain the 3 3 1 periodicity. At present, there are two promising models for the ͑3 3 1͒ reconstruction that have been proposed on the basis of scanning tunneling microscopy (STM) [8], electronic properties [9], and total-energy calculations [10]. The Seiwatz model [see Fig. 1(a)] [7,11,12] consists of parallel p-bonded chains formed by fivefold rings of Si (Ge) atoms in ͗110͘ projection, separated by empty channels, with a top-site adsorbate saturating the surface dangling bonds. The second model is the extended Pandey model [10,13] [see Fig. 1(b)] which consists of a sevenfold ring carrying the p-bonded chain alternating with a five and six-member ring of Si. It is intuitive to describe the ring sequences from these models with the notation 567567 (extended Pandey) and 500500 (Seiwatz model). Unfortunately, neither of these structures is able to explain our surface x-ray diffraction data (SXRD) or low-energy electron diffraction (LEED) data.We determined the structure by using a multipletechnique ...

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