210 research outputs found
Global transition path search for dislocation formation in Ge on Si(001)
Global optimization of transition paths in complex atomic scale systems is
addressed in the context of misfit dislocation formation in a strained Ge film
on Si(001). Such paths contain multiple intermediate minima connected by
minimum energy paths on the energy surface emerging from the atomic
interactions in the system. The challenge is to find which intermediate states
to include and to construct a path going through these intermediates in such a
way that the overall activation energy for the transition is minimal. In the
numerical approach presented here, intermediate minima are constructed by
heredity transformations of known minimum energy structures and by identifying
local minima in minimum energy paths calculated using a modified version of the
nudged elastic band method. Several mechanisms for the formation of a 90{\deg}
misfit dislocation at the Ge-Si interface are identified when this method is
used to construct transition paths connecting a homogeneously strained Ge film
and a film containing a misfit dislocation. One of these mechanisms which has
not been reported in the literature is detailed. The activation energy for this
path is calculated to be 26% smaller than the activation energy for half loop
formation of a full, isolated 60{\deg} dislocation. An extension of the common
neighbor analysis method involving characterization of the geometrical
arrangement of second nearest neighbors is used to identify and visualize the
dislocations and stacking faults
Ge quantum dot arrays grown by ultrahigh vacuum molecular beam epitaxy on the Si(001) surface: nucleation, morphology and CMOS compatibility
Issues of morphology, nucleation and growth of Ge cluster arrays deposited by
ultrahigh vacuum molecular beam epitaxy on the Si(001) surface are considered.
Difference in nucleation of quantum dots during Ge deposition at low (<600 deg
C) and high (>600 deg. C) temperatures is studied by high resolution scanning
tunneling microscopy. The atomic models of growth of both species of Ge
huts---pyramids and wedges---are proposed. The growth cycle of Ge QD arrays at
low temperatures is explored. A problem of lowering of the array formation
temperature is discussed with the focus on CMOS compatibility of the entire
process; a special attention is paid upon approaches to reduction of treatment
temperature during the Si(001) surface pre-growth cleaning, which is at once a
key and the highest-temperature phase of the Ge/Si(001) quantum dot dense array
formation process. The temperature of the Si clean surface preparation, the
final high-temperature step of which is, as a rule, carried out directly in the
MBE chamber just before the structure deposition, determines the compatibility
of formation process of Ge-QD-array based devices with the CMOS manufacturing
cycle. Silicon surface hydrogenation at the final stage of its wet chemical
etching during the preliminary cleaning is proposed as a possible way of
efficient reduction of the Si wafer pre-growth annealing temperature.Comment: 30 pages, 11 figure
Epitaxial growth in dislocation-free strained alloy films: Morphological and compositional instabilities
The mechanisms of stability or instability in the strained alloy film growth
are of intense current interest to both theorists and experimentalists. We
consider dislocation-free, coherent, growing alloy films which could exhibit a
morphological instability without nucleation. We investigate such strained
films by developing a nonequilibrium, continuum model and by performing a
linear stability analysis. The couplings of film-substrate misfit strain,
compositional stress, deposition rate, and growth temperature determine the
stability of film morphology as well as the surface spinodal decomposition. We
consider some realistic factors of epitaxial growth, in particular the
composition dependence of elastic moduli and the coupling between top surface
and underlying bulk of the film. The interplay of these factors leads to new
stability results. In addition to the stability diagrams both above and below
the coherent spinodal temperature, we also calculate the kinetic critical
thickness for the onset of instability as well as its scaling behavior with
respect to misfit strain and deposition rate. We apply our results to some real
growth systems and discuss the implications related to some recent experimental
observations.Comment: 26 pages, 13 eps figure
Defect Characterization in SiGe/SOI Epitaxial Semiconductors by Positron Annihilation
The potential of positron annihilation spectroscopy (PAS) for defect characterization at the atomic scale in semiconductors has been demonstrated in thin multilayer structures of SiGe (50 nm) grown on UTB (ultra-thin body) SOI (silicon-on-insulator). A slow positron beam was used to probe the defect profile. The SiO2/Si interface in the UTB-SOI was well characterized, and a good estimation of its depth has been obtained. The chemical analysis indicates that the interface does not contain defects, but only strongly localized charged centers. In order to promote the relaxation, the samples have been submitted to a post-growth annealing treatment in vacuum. After this treatment, it was possible to observe the modifications of the defect structure of the relaxed film. Chemical analysis of the SiGe layers suggests a prevalent trapping site surrounded by germanium atoms, presumably Si vacancies associated with misfit dislocations and threading dislocations in the SiGe films
Coherent Stranski-Krastanov growth in 1+1 dimensions with anharmonic interactions: An equilibrium study
The formation of coherently strained three-dimensional islands on top of the
wetting layer in Stranski-Krastanov mode of growth is considered in a model in
1+1 dimensions accounting for the anharmonicity and non-convexity of the real
interatomic forces. It is shown that coherent 3D islands can be expected to
form in compressed rather than in expanded overlayers beyond a critical lattice
misfit. In the latter case the classical Stranski-Krastanov growth is expected
to occur because the misfit dislocations can become energetically favored at
smaller island sizes. The thermodynamic reason for coherent 3D islanding is the
incomplete wetting owing to the weaker adhesion of the edge atoms. Monolayer
height islands with a critical size appear as necessary precursors of the 3D
islands. The latter explains the experimentally observed narrow size
distribution of the 3D islands. The 2D-3D transformation takes place by
consecutive rearrangements of mono- to bilayer, bi- to trilayer islands, etc.,
after exceeding the corresponding critical sizes. The rearrangements are
initiated by nucleation events each next one requiring to overcome a lower
energetic barrier. The model is in good qualitative agreement with available
experimental observations.Comment: 12 pages text, 15 figures, Accepted in Phys.Rev.B, Vol.61, No2
Comparison of cross-sectional transmission electron microscope studies of thin germanium epilayers grown on differently oriented silicon wafers
We compare transmission electron microscopical analyses of the onset of islanding in the germanium-on-silicon (Ge/Si) system for three different Si substrate orientations: (001), (11¯0) and (11¯1)Si. The Ge was deposited by reduced pressure chemical vapour deposition and forms islands on the surface of all Si wafers; however, the morphology (aspect ratio) of the deposited islands is different for each type of wafer. Moreover, the mechanism for strain relaxation is different for each type of wafer owing to the different orientation of the (111) slip planes with the growth surface. Ge grown on (001)Si is initially pseudomorphically strained, yielding small, almost symmetrical islands of high aspect ratio (clusters or domes) on top interdiffused SiGe pedestals, without any evidence of plastic relaxation by dislocations, which would nucleate later-on when the islands might have coalesced and then the Matthews-Blakeslee limit is reached. For (11¯0)Si, islands are flatter and more asymmetric, and this is correlated with plastic relaxation of some islands by dislocations. In the case of growth on (11¯1)Si wafers, there is evidence of immediate strain relaxation taking place by numerous dislocations and also twinning. In the case of untwined film/substrate interfaces, Burgers circuits drawn around certain (amorphous-like) regions show a nonclosure with an edge-type a/4[1¯12] Burgers vector component visible in projection along [110]. Microtwins of multiples of half unit cells in thickness have been observed which occur at the growth interface between the Si(11¯1) buffer layer and the overlying Ge material. Models of the growth mechanisms to explain the interfacial configurations of each type of wafer are suggested
Fabrication of Coaxial Si1−xGex Heterostructure Nanowires by O2 Flow-Induced Bifurcate Reactions
We report on bifurcate reactions on the surface of well-aligned Si1−xGex nanowires that enable fabrication of two different coaxial heterostructure nanowires. The Si1−xGex nanowires were grown in a chemical vapor transport process using SiCl4 gas and Ge powder as a source. After the growth of nanowires, SiCl4 flow was terminated while O2 gas flow was introduced under vacuum. On the surface of nanowires was deposited Ge by the vapor from the Ge powder or oxidized into SiO2 by the O2 gas. The transition from deposition to oxidation occurred abruptly at 2 torr of O2 pressure without any intermediate region and enables selectively fabricated Ge/Si1−xGex or SiO2/Si1−xGex coaxial heterostructure nanowires. The rate of deposition and oxidation was dominated by interfacial reaction and diffusion of oxygen through the oxide layer, respectively
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