On the singularities of the Green's-function method for electronic structure of solids

1977 ◽  
Vol 16 (6) ◽  
pp. 2556-2563 ◽  
Author(s):  
Benjamin Segall ◽  
An-Ban Chen
1991 ◽  
Vol 253 ◽  
Author(s):  
R. Zeller ◽  
P. Lang ◽  
B. Drittler ◽  
P.H. Dederichs

ABSTRACTWe present a multiple-scattering Green's function method to calculate the electronic structure of ideal surfaces and surfaces with point defects. In our method we use the full potential in each atomic cell and describe the surface as a twodimensional defect of the bulk crystal by removing several (three to five) adjacent layers. We have implemented our method within density-functional theory in the local-spin-density approximation and present first results for the Cu (001)-surface, for magnetic monolayers on this surface and for such monolayers in bulk Cu.


2014 ◽  
Vol 17 (N/A) ◽  
pp. 89-145 ◽  
Author(s):  
Sridhar Sadasivam ◽  
Yuhang Che ◽  
Zhen Huang ◽  
Liang Chen ◽  
Satish Kumar ◽  
...  

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