Hydrogen interaction with dislocations in Si
نویسندگان
چکیده
An H plasma has a remarkable effect on dislocation mobility in silicon, reducing its activation energy to 1.2 eV. Applying density functional theory to the interactions of H and H2 with the core of the 90 degrees partial dislocation in Si, we have identified a path for motion involving kink formation and migration at hydrogenated core bonds which conforms exactly to the experimentally measured activation energy.
منابع مشابه
Hydrogen storage capacity of Si-decorated B80 nanocage: firstprinciples DFT calculation and MD simulation
Hydrogen storage capacity of Si-coated B80 fullerene was investigated based on density functional theory calculations within local density approximation and generalized gradient approximation. It is found that Si atom prefer to be attached above the center of pentagon with a binding energy of -5.78 eV. It is inferred that this binding is due to the charge transfer between the Si atom and B80 ca...
متن کاملEVALUATION OFDISLOCATION STRUCTURE AND CRYSTALLITE SIZE IN WORN AL-SI ALLOY BY X-RAY DIFFRACTION
Abstract: powerful method for the characterization of microstructures of crystalline materials in terms of crystallite size anddislocation structures. In this paper the effect of the sliding on the microstructure of A356 in the as-cast and heattreated conditions are studied, The X-ray phase analysis shows that with increasing applied load, the dislocationdensity is increased, whereas the crysta...
متن کاملHydrogen Effects on the Interaction between Dislocations
ÐThe eect of hydrogen on the interaction between dislocations and other elastic centers (impurity atoms and dislocations) in 310 S stainless steel and high-purity aluminum has been directly observed during deformation experiments in situ in an environmental cell transmission electron microscope. In 310 S stainless steel, the presence of hydrogen was observed to reduce the elastic interactions ...
متن کاملEffect of isochronal hydrogen annealing on surface roughness and threading dislocation density of epitaxial Ge films grown on Si
Available online 21 October 2009
متن کاملGravimetric storage capacity of Hydrogen on C24H12 Coronene and its Si substituted at 298 K, a Monte Carlo Simulation
In this study, the radial distribution and gravimetric storage capacities of hydrogen on coronene (C24H12) and its Si substituted forms, C24H12, C24-nSinH12 (n= 4-24), have been investigated at 298 K and 0.1 MPa (standard situation) using (N,V,T) Monte Carlo simulation by Lennard-Jones (LJ) 12-6 potential. The results show that the increase of number of silicon substitution doesn’t have any eff...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- Physical review letters
دوره 84 4 شماره
صفحات -
تاریخ انتشار 2000