Vectorized partial wave calculation using a cauchy-type propagation matrix

1989 ◽  
Vol 80 (1) ◽  
pp. 17-26
Author(s):  
Kenji Ishibashi ◽  
Yuki Miura ◽  
Hiroshi Takada ◽  
Takeji Sakae ◽  
Yuzuru Matsumoto ◽  
...  
2002 ◽  
Vol 727 ◽  
Author(s):  
A. M. Mazzone

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.


1985 ◽  
Vol 50 (10) ◽  
pp. 2093-2100
Author(s):  
Štěpán Pick ◽  
Mojmír Tomášek ◽  
Mojmír Šob

Partial wave analysis together with the qualitative examination of hybridization has been performed for two ordered intermetallic alloys with CsCl structure, FeV, and CoTi. The results resemble those obtained previously for FeTi, although important deviations are present as well. The stabilization of the ordered phase is again due to ionic effects. Qualitative arguments are suggested to explain the small stability of the CsCl phase of FeV and some differences in the FeTi and CoTi phase diagrams.


Pancreas ◽  
2007 ◽  
Vol 35 (4) ◽  
pp. 429-430
Author(s):  
H. Subramanian ◽  
R. Brand ◽  
P. Pradhan ◽  
N. Deep ◽  
V. Parikh ◽  
...  

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