Augmented-plane-wave to Gaussian-orbital conversion procedure: One-electron states and Compton profiles of fcc neon

1981 ◽  
Vol 24 (4) ◽  
pp. 1751-1760 ◽  
Author(s):  
A. K. Ray ◽  
S. B. Trickey
Keyword(s):  
Plane Wave ◽  
Augmented Plane Wave ◽  
Electron States ◽  
Conversion Procedure ◽  
Gaussian Orbital

Evolution of the electronic structure of metallic multilayers from two to threedimensionality. A Full Potential Linearized Augmented Plane Wave calculation.

2002 ◽  
Vol 727 ◽  
Author(s):  
A. M. Mazzone
Keyword(s):  
Plane Wave ◽  
Density Of States ◽  
Noble Metals ◽  
Full Potential ◽  
Metallic Multilayers ◽  
Augmented Plane Wave ◽  
Narrow Bandwidth ◽  
Epitaxial Multilayers ◽  
Linearized Augmented Plane Wave ◽  
Wave Calculation

AbstractFull Potential Linearized Augmented Plane Wave calculations have been performed for epitaxial multilayers formed by the noble metals Ag and Cu with a thickness n up to 10 layers. The multilayers have a fcc lattice and are pure or compositionally modulated with a structure of the type Agn Cun or (AgCu)n. For n in the range 2,3 the density of states, evaluated at paramagnetic level, exhibits a sharp reduction of the bandwidth which is consistent with the reduced coordination of these structures. For n ≤ 5 the density of states in the central layers converges to the bulk value while the outer layers retain the narrow bandwidth found at n=2. Due to the absence of charge intermixing and hybridization, these features are shared by multilayers of all composition.

New Version of the Modified Augmented-Plane-Wave Method

1970 ◽  
Vol 2 (8) ◽  
pp. 3098-3103 ◽  
Author(s):  
H. Bross ◽  
G. Bohn ◽  
G. Meister ◽  
W. Schubö ◽  
H. Stöhr
Keyword(s):  
Plane Wave ◽  
Wave Method ◽  
Augmented Plane Wave ◽  
Plane Wave Method ◽  
Augmented Plane Wave Method
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