Document Details

Document Type : Article In Journal 
Document Title :
Study of some surface properties using a simple gradient expansion of the kinetic energy density functional
Study of some surface properties using a simple gradient expansion of the kinetic energy density functional
 
Subject : Physics 
Document Language : English 
Abstract : Reasonable surface energies and very accurate surface dipole barrier and work function for a semi-infinite jellium are calculated from a simple model of the density. The model was proposed by Smith and contains one universal parameter. In the Kohn-Sham energy functional, the kinetic energy is approximated by its simple gradient expansion including a fourth-order term. The exchange and correlation are treated within the local-density approximation. Using the simple gradient, the energy is minimized with respect to the universal parameter of the density. The parameter which minimizes the energy is used to calculate the surface dipole barrier and the work function. A comparison was made with the Lang and Kohn results and with the Ma and Sahni results. © 1990 Società Italiana di Fisica. 
ISSN : 0392-6737 
Journal Name : Il Nuovo Cimento D, Volume 12, Issue 8, August 1990, Pages 1109-1116 
Volume : 12 
Issue Number : 8 
Publishing Year : 1990 AH
1990 AD 
Number Of Pages : 8 
Article Type : Article 
Added Date : Thursday, October 15, 2009 

Researchers

Researcher Name (Arabic)Researcher Name (English)Researcher TypeDr GradeEmail
Mobarek, O.HMobarek, O.HResearcherDoctorate 
محمد رياض عرفان عرفهMohammed Riyadh ArafahResearcherDoctoratemarafah@kau.edu.sa

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