scholarly journals Surface energy of a bounded electron gas: Analysis of the accuracy of the local-density approximation viaab initioself-consistent-field calculations

1998 ◽  
Vol 57 (11) ◽  
pp. 6329-6332 ◽  
Author(s):  
J. M. Pitarke ◽  
A. G. Eguiluz
Keyword(s):  
Surface Energy ◽  
Local Density Approximation ◽  
Local Density ◽  
Electron Gas ◽  
Gas Analysis ◽  
Density Approximation ◽  
Consistent Field

Self-consistent-field calculations of atoms and ions using a modified local-density approximation

1994 ◽  
Vol 50 (1) ◽  
pp. 171-176 ◽  
Author(s):  
David A. Liberman ◽  
James R. Albritton ◽  
Brian G. Wilson ◽  
William E. Alley
Keyword(s):  
Local Density Approximation ◽  
Local Density ◽  
Density Approximation ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Embedded Atom Model of Surface Stress and Early Film Growth in Electrodeposition: Ag/Au(111)

1996 ◽  
Vol 451 ◽  
Author(s):  
Michael I. Haftel ◽  
Nervine Rosen ◽  
Sean G. Corcoran
Keyword(s):  
Surface Energy ◽  
Electron Density ◽  
Surface Stress ◽  
Local Density Approximation ◽  
Film Growth ◽  
Local Density ◽  
Density Approximation ◽  
Atom Model ◽  
Embedded Atom ◽  
Electrolytic Potential

ABSTRACTWe develop an embedded-atom-model (EAM) for simulations of metallic film growth under electrodeposition. The surface charge induced by the electric field is handled as an addition to the electron density to be used in the EAM. Parameters relating the shift in electron density to the electrolytic potential are calibrated to measurements of the capacitance and of surface stress versus potential for Au. For Ag the calibration is to capacitance and local density approximation calculations of surface energy. The resulting parameters are physically realistic for the experiments performed. The model is then applied to calculating migration and step edge barriers for Ag electrodeposited on Au (111) as an explanation of the observed Stranski-Krastanov growth.

Silicon plasmon resonances in the local-density approximation

1992 ◽  
Vol 45 (16) ◽  
pp. 8970-8976 ◽  
Author(s):  
R. Daling ◽  
W. van Haeringen ◽  
B. Farid
Keyword(s):  
Local Density Approximation ◽  
Local Density ◽  
Density Approximation ◽  
Plasmon Resonances
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