Ab-initio Calculations of Shear Stress Effects on Defects and Diffusion in Silicon

2006 ◽  
Author(s):  
Milan Diebel ◽  
Harold Kennel ◽  
Martin Giles
Keyword(s):  
Shear Stress ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Stress Effects ◽  
And Diffusion

scholarly journals Ab-initio Calculations to Predict Stress Effects on Boron Solubility in Silicon

2004 ◽  
pp. 37-40 ◽  
Author(s):  
Milan Diebel ◽  
Srini Chakravarthi ◽  
Scott T. Dunham ◽  
Charles F. Machala
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Stress Effects

Ti, Al and N adatom adsorption and diffusion on rocksalt cubic AlN (001) and (011) surfaces: Ab initio calculations

2017 ◽  
Vol 423 ◽  
pp. 354-364 ◽  
Author(s):  
C. Mastail ◽  
M. David ◽  
F. Nita ◽  
A. Michel ◽  
G. Abadias
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
And Diffusion

Anomalies and regularities in the broadening, shifting, and diffusion of D2 in D2 and D2-He mixtures

2000 ◽  
Vol 78 (5-6) ◽  
pp. 579-598 ◽  
Author(s):  
S H Fakhr-Eslam ◽  
G D Sheldon ◽  
P M Sinclair ◽  
A D May ◽  
J R Drummond
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Empirical Relation ◽  
Diffusion Constant ◽  
Collision Model ◽  
Diffusion Constants ◽  
Meaningful Comparison ◽  
And Diffusion

Precise and accurate measurements of the Q branch lines of D2 in D2 and D2–He mixtures at several temperatures and low densities reveal a regular broadening at very low densities but only if allowance is made for departures from the soft-collision model. Above about 2 amagat the broadening becomes anomalous and is consistent with earlier observations. Because of the anomalies, a meaningful comparison between broadening and shifting coefficientsand ab initio calculations was not possible. Diffusion constants, as extracted from the data for mixtures, allow us to establish an empirical relation between this diffusion constant and those for pure D2 and for D2 infinitely diluted in He.PACS Nos. 33.70Jg and 33.70-W

Millimetre-wave and infrared spectroscopy of Br13 CN: anharmonic force field of cyanogen bromide from spectroscopic data and ab initio calculations

1997 ◽  
Vol 90 (3) ◽  
pp. 495-497
Author(s):  
CLAUDIO ESPOSTI ◽  
FILIPPO TAMASSIA ◽  
CRISTINA PUZZARINI ◽  
RICCARDO TARRONI ◽  
ZDENEK ZELINGER
Keyword(s):  
Infrared Spectroscopy ◽  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spectroscopic Data ◽  
Cyanogen Bromide ◽  
Millimetre Wave ◽  
Anharmonic Force
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