Relative Stability of Perfect and Faulted Dislocation Loops in Silicon

1999 ◽  
Vol 568 ◽  
Author(s):  
M. Omri ◽  
B. de Mauduit ◽  
A. Claverie
Keyword(s):  
Relative Stability ◽  
Thermal Evolution ◽  
Binding Energies ◽  
Dislocation Loops ◽  
Interstitial Atoms ◽  
Extrinsic Defects

ABSTRACTWe have studied by TEM the thermal evolution of a population of extrinsic defects composed of a mixture of both perfect and faulted dislocation loops (PDL's and FDL's respectively). It is shown that, when isolated from an external sink, the FDL's trap the Si interstitial atoms emitted by PDL's. When a highly recombining surface is located close to the defects, it preferably « pumps » the PDL's. On the contrary, injecting Si(int)'s from the surface helps stabilizing the PDL's while the FDL's grow. These experiments clearly show that FDL's are more stable, i.e. have higher binding energies than PDL's.

The Influence of the Initial Supersaturation of Si Interstitial Atoms on the Relative Thermal Stability of Dislocation Loops in Silicon

2000 ◽  
Vol 610 ◽  
Author(s):  
F. Cristiano ◽  
B. Colombeau ◽  
B. de Mauduit ◽  
F. Giles ◽  
M. Omri ◽  
...  
Keyword(s):  
Relative Stability ◽  
Thermal Evolution ◽  
Dislocation Loops ◽  
Transmission Electron Microscopy Analysis ◽  
Transmission Electron ◽  
Interstitial Atoms ◽  
Electron Microscopy Analysis ◽  
Microscopy Analysis ◽  
Implantation Process ◽  
Formation Energies

AbstractIn this work, we have studied the relative stability of perfect (PDLs) and faulted (FDLs) dislocation loops formed during annealing of preamorphised silicon. In particular, we have investigated the effect of the initial supersaturation of Si interstitial atoms (Si(int)s) created by the implantation process on their thermal evolution. Transmission Electron Microscopy analysis shows that in samples with a low Si interstitial supersaturation, FDLs are the dominant defects while PDLs appear as the most stable defects in highly supersaturated samples. We have calculated the formation energies of both types of dislocation loops and found that, for defects of the same size, FDLs are more energetically stable than PDLs, if their diameter is smaller than 80 nm and viceversa. The application of these calculations to the samples studied in this work indicates that a direct correspondence exists between the formation energy of the two defect families and the number of atoms bound to them. Moreover, we have shown that the relative stability of FDLs and PDLs depends on the initial supersaturation of Si(int)s created during the implantation process.

Formation energies and relative stability of perfect and faulted dislocation loops in silicon

2000 ◽  
Vol 87 (12) ◽  
pp. 8420-8428 ◽  
Author(s):  
F. Cristiano ◽  
J. Grisolia ◽  
B. Colombeau ◽  
M. Omri ◽  
B. de Mauduit ◽  
...  
Keyword(s):  
Relative Stability ◽  
Dislocation Loops ◽  
Formation Energies

Thermal Evolution of Extrinsic Defects in Ion Implanted Silicon: Current Understanding and Modelling

2002 ◽  
Vol 717 ◽  
Author(s):  
Fuccio Cristiano ◽  
Benjamin Colombeau ◽  
Bernadette de Mauduit ◽  
Caroline Bonafos ◽  
Gerard Benassayag ◽  
...  
Keyword(s):  
Ostwald Ripening ◽  
Thermal Evolution ◽  
Extensive Study ◽  
Extended Defects ◽  
Experimental Conditions ◽  
Annealing Conditions ◽  
Physically Based ◽  
Free Interstitial ◽  
Extrinsic Defects ◽  
Ion Implanted

AbstractWe present an extensive study of the thermal evolution of the extended defects found in ion implanted Si as a function of annealing conditions. We will first review their structure and energetics and show that the defect kinetics can be described by an Ostwald ripening process whereby the defects exchange Si atoms and evolve in size and type to minimise their formation energy. Finally, we will present a physically based model to predict the evolution of extrinsic defects during annealing through the calculation of defect densities, size distributions, number of clustered interstitials and free-interstitial supersaturation. We will show some successful applications of our model to a variety of experimental conditions and give an example of its predictive capabilities at ultra low implantation energies.

On the Energetics of Extrinsic Defects in Si and their Role in Nonequilibrium Dopant Diffusion

2000 ◽  
Vol 610 ◽  
Author(s):  
Alain Claverie ◽  
Filadelfo Cristiano ◽  
Benjamin Colombeau ◽  
Nicholas Cowern
Keyword(s):  
Formation Energy ◽  
Ostwald Ripening ◽  
High Dose ◽  
Extended Defects ◽  
Dislocation Loops ◽  
Dynamical Equilibrium ◽  
Defect Interactions ◽  
Small Clusters ◽  
Dose Levels ◽  
Extrinsic Defects

AbstractIn this paper, we discuss the mechanisms by which small clusters evolve through “magic” sizes into {113} defects and then, at sufficiently high dose levels, transform into dislocation loops of two types. This ripening process is mediated by the interchange of free Si(int)s between different extended defects, leading to a decrease of their formation energy. The calculation of the supersaturation of free Si-interstitials in dynamical equilibrium with these defects shows a hierarchy of levels of nonequilibrium diffusion, ranging from supersaturations S of about 106 in the presence of small clusters, through 103 in the presence of {113} defects, to S in the range 100 down to 1 as loops are formed, evolve and finally evaporate. A detailed analysis of defect energetics has been carried out and it is shown that Ostwald ripening is the key concept for understanding and modelling defect interactions during TED of dopants in silicon.

scholarly journals Molecular Dynamics Study of Interaction of Carbon, Nitrogen, and Oxygen Impurity Atoms with Self-Interstitial Atoms in Nickel, Silver and Aluminum

2021 ◽  
pp. 27-32
Author(s):  
I.V. Zorya ◽  
G.M. Poletaev
Keyword(s):  
Molecular Dynamics ◽  
Impurity Atom ◽  
Interstitial Atom ◽  
Binding Energies ◽  
Oxygen Impurity ◽  
Impurity Atoms ◽  
Nickel Silver ◽  
Interstitial Atoms ◽  
Atom Migration ◽  
Dynamics Method

The interaction of impurity atoms of carbon, nitrogen, and oxygen with self-interstitial atoms in FCC metals like nickel, silver, and aluminum is studied using the molecular dynamics method. It is found that the self-interstitial atom migration in the crystal lattice follows two mechanisms: dumbbell and crowdion. In this case, the first mechanism that includes one interatomic distance displacement and the rotation of the <001> dumbbell is characterized by broken paths of atomic migration. The second mechanism is described by straight paths along the close-packed directions <011> in the crystal. The binding energies between impurity atoms and selfinterstitial atoms in Ni, Ag, and Al are calculated in the paper. It is shown that impurity atoms are effective “traps” for interstitial atoms that migrate relatively quickly in a crystal. During the interaction of an interstitial and an impurity atom, the interstitial atom forms a dumbbell configuration with an axis along the <001> direction, and the impurity atom is located in the nearest octahedral pore. It is found that the mobility of interstitial atoms is significantly reduced due to the presence of impurities in the metal. The introduction of 10 % impurity atoms leads to a severalfold increase in the migration energy of interstitial atoms. At the same time, the contribution of the crowdion mechanism is noticeably reduced while the dumbbell mechanism contribution is increased.

Structures, relative stability and binding energies of neutral water clusters, (H2O)2–30

2019 ◽  
Vol 43 (33) ◽  
pp. 13020-13037 ◽  
Author(s):  
Alhadji Malloum ◽  
Jean Jules Fifen ◽  
Zoubeida Dhaouadi ◽  
Serge Guy Nana Engo ◽  
Jeanet Conradie
Keyword(s):  
Relative Stability ◽  
Cluster Size ◽  
Water Clusters ◽  
Binding Energies ◽  
Neutral Water

We have revised the structures of neutral water clusters, (H2O)n=2–30, with the affordable M06-2X functional, presenting up to 25 isomers for each cluster size.

Atomistic simulations of extrinsic defects evolution and transient enhanced diffusion in silicon

2001 ◽  
Vol 669 ◽  
Author(s):  
A. Claverie ◽  
B. Colombeau ◽  
F. Cristiano ◽  
A. Altibelli ◽  
C. Bonafos
Keyword(s):  
Ostwald Ripening ◽  
Physical Modelling ◽  
Defect Layer ◽  
Low Energy ◽  
Atomistic Simulations ◽  
Correct Prediction ◽  
Dislocation Loops ◽  
Enhanced Diffusion ◽  
Loss Term ◽  
Extrinsic Defects

ABSTRACTWe have implemented an atomistic simulation of the Ostwald ripening of extrinsic defects (clusters, {113}'s and dislocation loops) which occurs during annealing of ion implanted silicon. Our model describes the concomitant time evolution of the defects and of the supersaturation of Si interstitial atoms in the region. It accounts for the capture and emission of these interstitials to and from extrinsic defects (defined by their formation energy) of sizes up to thousands of atoms and includes a loss term due to the interstitial flux to the surface. This model reproduces well the dissolution of {113} defects in Si implanted wafers. We have subsequently studied the characteristics of TED in the case of B implantation at low and ultra low energy. In such cases, the distance between the defect layer and the surface plays a crucial role in determining the TED decay time. The simulations show that defect dissolution occurs earlier and for smaller sizes in the ultra-low energy regime. Under such conditions, TED is mostly characterized by its “pulse” component which takes place at the very beginning of the anneal, probably during the ramping up. In summary, we have shown that the physical modelling of the formation and of the growth of extrinsic defects leads to a correct prediction of the “source term” of Si interstitials and at the origin of TED.

Thermal Evolution of Extrinsic Defects in Ion Implanted Silicon: Current Understanding and Modelling

2001 ◽  
Vol 82-84 ◽  
pp. 201-206 ◽  
Author(s):  
Fuccio Cristiano ◽  
B. Colombeau ◽  
Caroline Bonafos ◽  
A. Altibelli ◽  
G. Benassayag ◽  
...  
Keyword(s):  
Thermal Evolution ◽  
Current Understanding ◽  
Extrinsic Defects ◽  
Ion Implanted

scholarly journals Relative Stability of Silicon Self-Interstitial Defects

2000 ◽  
Vol 610 ◽  
Author(s):  
G. Subramanian ◽  
K.S. Jones ◽  
M.E. Law ◽  
M.J. Caturla ◽  
S. Theiss ◽  
...  
Keyword(s):  
Relative Stability ◽  
Defect Size ◽  
Dislocation Loops ◽  
Transmission Electron ◽  
Perfect Dislocation ◽  
Recent Transmission ◽  
Interstitial Defects ◽  
Annealing Study ◽  
Formation Energies ◽  
Weber Potential

Abstract{311) defects and dislocation loops are formed after ion-implantation and annealing of a silicon wafer. Recent Transmission Electron Microscopy studies by Li and Jones have shown that sub-threshold dislocation loops nucleate from {311} defects. In our study, the conjugate gradient method with the Stillinger Weber potential is used to relax different configurations such as {311} defects with a maximum of five chains and perfect dislocation loops. From the formation energies thus obtained we find that there is an optimal width for each length of the {311} defects. Moreover the relative stability of {311}s and loops is studied as a function of defect size. We observe that at very small sizes the perfect loops are more stable than the {311}s. This may provide an explanation for the experimental observation by Robertson et al that, in an annealing study of end of range damage of amorphized samples, 45% of the loops had nucleated in the first 10 minutes of anneal. Out of these 25% of the loops could not have nucleated by unfaulting of {311}s. We propose that homogeneous nucleation, as against unfaulting of the {311}s, could be the source of these sub-microscopic loops.

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