A local density functional approximation for the ion distribution near a charged electrode in the restricted primitive model electrolyte

1987 ◽  
Vol 111 (2) ◽  
pp. 223-240 ◽  
Author(s):  
T. Alts ◽  
P. Nielaba ◽  
B. D'Aguanno ◽  
F. Forstmann
Keyword(s):  
Density Functional ◽  
Local Density ◽  
Ion Distribution ◽  
Functional Approximation ◽  
Primitive Model ◽  
Restricted Primitive Model ◽  
Local Density Functional

Crystallographic input data for (001)-, (110)- and (111)-oriented superlattices

2012 ◽  
Vol 68 (4) ◽  
pp. 378-388 ◽  
Author(s):  
Z Touaa ◽  
Nadir Sekkal
Keyword(s):  
Electronic Structures ◽  
Density Functional ◽  
Input Data ◽  
Local Density ◽  
Full Potential ◽  
First Principle ◽  
Functional Approximation ◽  
Local Density Functional ◽  
General Aspects ◽  
Linear Muffin Tin Orbital

General aspects concerned with (001)-, (110)- and (111)-oriented superlattices (SLs) have been investigated. In particular, the symmetry of these systems have been derived and given in detail. As a test, the obtained data have been utilized to calculate electronic structures and gaps of a standard GaAs/AlAs system using an accurate version of the first principle full potential linear muffin-tin orbital (FPLMTO) method based on a local-density functional approximation (LDA).

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