scholarly journals Electronic structure of YBa2Cu3O7 and YBa2Cu3O6—charge-self-consistent band structure calculations

1991 ◽  
Vol 14 (4) ◽  
pp. 951-957 ◽  
Author(s):  
V A Pai ◽  
A P Sathe ◽  
V R Marathe
Keyword(s):  
Electronic Structure ◽  
Band Structure ◽  
Band Structure Calculations ◽  
Self Consistent ◽  
Structure Calculations

Specific Peculiarities of the Electronic Structure of SrPb3Br8 As Evidenced from First-Principles DFT Band-Structure Calculations

2019 ◽  
Vol 48 (5) ◽  
pp. 3059-3068 ◽  
Author(s):  
O. Y. Khyzhun ◽  
V. L. Bekenev ◽  
N. M. Denysyuk ◽  
L. I. Isaenko ◽  
A. P. Yelisseyev ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Structure ◽  
First Principles ◽  
Band Structure Calculations ◽  
Structure Calculations

Band-structure calculations of BN by the self-consistent variational cellular method

1990 ◽  
Vol 41 (3) ◽  
pp. 1691-1694 ◽  
Author(s):  
E. K. Takahashi ◽  
A. T. Lino ◽  
A. C. Ferraz ◽  
J. R. Leite
Keyword(s):  
Band Structure ◽  
The Self ◽  
Band Structure Calculations ◽  
Self Consistent ◽  
Cellular Method ◽  
Structure Calculations

Electronic structure ofNaxCu1−xIn5S8compounds: X-ray photoemission spectroscopy study and band structure calculations

2008 ◽  
Vol 78 (23) ◽  
Author(s):  
Catherine Guillot-Deudon ◽  
Sylvie Harel ◽  
Arezki Mokrani ◽  
Alain Lafond ◽  
Nicolas Barreau ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Structure ◽  
Photoemission Spectroscopy ◽  
Spectroscopy Study ◽  
X Ray ◽  
Band Structure Calculations ◽  
Structure Calculations

The electronic structure of disordered system

1964 ◽  
Vol 279 (1376) ◽  
pp. 82-97 ◽  
Keyword(s):  
Electronic Structure ◽  
Band Structure ◽  
Density Of States ◽  
Disordered System ◽  
Perfect Lattice ◽  
Geometric Approximation ◽  
Band Structure Calculations ◽  
Interacting Electrons ◽  
Simplifying Assumptions ◽  
Structure Calculations

A general expression is written down for the density of states of non-interacting electrons in a disordered system. The expression is obtained on the basis of two simplifying assumptions; the geometric approximation, which is connected with the disorder, and an approximation concerning the potential which is commonly used in band structure calculations. In the case of a perfect lattice the result of Kohn & Rostoker (1954) for the band structure of the lattice is derived, and details of the density of states are available from the formula thus obtained. It is shown how the change in the energy of the electrons due to the presence of a phonon can be obtained.

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