Abstract:The atomic structure at monatomic-height S B steps on clean Si͑001͒ and a Ni-contaminated Si͑001͒ was investigated using high-resolution scanning tunneling microscopy at room temperature. Rebonded S B steps are dominant on clean Si͑001͒. Nonrebonded S B steps with split-off dimers are favored on the Ni-contaminated Si͑001͒ and in the vicinity of dimer vacancies on clean Si͑001͒. The nonrebonded step with the split-off dimer is generated by the strain due to dimer vacancies. A buckled dimer was observed in the … Show more
“…3(d). Similar steps have been seen on Ni and W contaminated Si(0 0 1) surfaces [28,37]. Apparently, the strain induced by the metal incorporation that induces the DVs on the terraces also alters the step energies, transforming the r-S B steps that dominate on the clean Ge(0 0 1) surface to n-S B steps with a DV adjacent to the step edge.…”
Section: Initial Gold Growth and Bulk Migrationsupporting
“…3(d). Similar steps have been seen on Ni and W contaminated Si(0 0 1) surfaces [28,37]. Apparently, the strain induced by the metal incorporation that induces the DVs on the terraces also alters the step energies, transforming the r-S B steps that dominate on the clean Ge(0 0 1) surface to n-S B steps with a DV adjacent to the step edge.…”
Section: Initial Gold Growth and Bulk Migrationsupporting
“…26 As was the case for the 1+1-DV and 1+2-DV, the split-off dimers in S B -DVs appear as doublelobed protrusions under low-bias filled-state imaging conditions, Fig. 7(a).…”
Section: New Step Edge Defectmentioning
confidence: 97%
“…At the top of these images white arrows indicate are three defects known as S B -DVs, which are rebonded 1-DVs at the step edge, which leave a single split-off dimer as the last dimer before the lower ter- of DV defects at an SB-type step edge. White arrows indicate SB-DVs, 26 while black arrows point to a previously unreported defect that exhibits a third protrusion in the filledstate giving it a triangular appearance. We propose the structure (c) as a model for this defect.…”
Dimer vacancy (DV) defect complexes in the Si(001)2 × 1 surface were investigated using highresolution scanning tunneling microscopy and first principles calculations. We find that under low bias filled-state tunneling conditions, isolated 'split-off' dimers in these defect complexes are imaged as pairs of protrusions while the surrounding Si surface dimers appear as the usual "bean-shaped" protrusions. We attribute this to the formation of π-bonds between the two atoms of the split-off dimer and second layer atoms, and present charge density plots to support this assignment. We observe a local brightness enhancement due to strain for different DV complexes and provide the first experimental confirmation of an earlier prediction that the 1+2-DV induces less surface strain than other DV complexes. Finally, we present a previously unreported triangular shaped split-off dimer defect complex that exists at SB-type step edges, and propose a structure for this defect involving a bound Si monomer.
“…When the surface is under a tensional stress near vacancy defects, the rebonded S B step edge is transformed into a split one. The nonrebonded S B step edge appears only in a special environment, namely one where free movement and/or supply of atoms is restricted [15]. These three types of step edge, in combination with the buckling of dimers, increase the structural varieties near the S B step [14].…”
The atomic structure of the monatomic steps on the Si(001) surface is investigated by scanning tunneling microscopy. The kink at the intersection of the S A and S B steps induces a strong buckling along the rebonded dimer row in the lower terrace. On the upper terrace of the S B step, the kink induces a local p(2×2) structure directed toward the center of the step. The strains of second-layer atoms supporting the dimers are responsible for the reconstruction near the monatomic steps on the Si(001) surface.The step on the Si(001) surface is one of the most abundant intrinsic defects. It causes inhomogeneities on the clean Si(001) surface and affects the nucleation and growth in the epitaxy. Many theoretical and experimental studies have been devoted to resolve the atomic structure of the step [1-13]. The monatomic step on the Si(001) surface is classified into two types, S A and S B [3].For the S A step, two types of structure are expected, depending on the direction of the buckling. The theoretical calculations estimate those structures to have the same total energy within the limit of calculation accuracy [14], but only one of two structures has been observed in experiments [1]. The structure of the S B step classifies into three types depending on the structure of dimers at the step edge; rebonded, nonrebonded, and split. On a well-prepared clean Si(001) surface, the S B step edge is found to be of the rebonded type. When the surface is under a tensional stress near vacancy defects, the rebonded S B step edge is transformed into a split one. The nonrebonded S B step edge appears only in a special environment, namely one where free movement and/or supply of atoms is restricted [15]. These three types of step edge, in combination with the buckling of dimers, increase the structural varieties near the S B step [14].Since every step has a finite width, kinks are inevitably created at both ends. A kink is influenced by a strong asymmetrical environment that induces a local structure on neighboring dimer rows in the upper and lower terraces of the step [16]. Since the kink is located at the intersection of S A and S B steps, the S A and S B steps are strongly correlated through it.In this work, we investigate the atomic structure of the monatomic S A and S B steps by scanning tunneling microscopy (STM) and derive a simple geometric rule based on the bonding characteristics to explain the various structures near the steps. To avoid the complexity relating to the S B step, only the rebonded type (which is dominant on a well-prepared clean Si(001) surface) is taken into account.
Experimental methodOur experiments were performed in an ultrahigh vacuum below 3 × 10 −10 Torr with a home-made STM. The Si(001) samples were cut from a P-doped Si(001) wafer (10 Ω cm) and wrapped with Ta foil at both ends to prevent direct contact with the Mo holder -a slight contact of the sample with the Mo holder causes contaminations and increases dimer vacancies on the sample surface after heat treatments. Then the samples were mounted on ...
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