A model potential technique for the calculation of the band structure of poly(glycine)

2009 ◽  
Vol 28 (S12) ◽  
pp. 25-31
Author(s):  
L. A. Burke
Keyword(s):  
Band Structure ◽  
Model Potential

Band Structure of TlCl by Heine-Abarenkov Model Potential Method

1971 ◽  
Vol 31 (5) ◽  
pp. 1313-1322 ◽  
Author(s):  
Masahiro Inoue ◽  
Makoto Okazaki
Keyword(s):  
Band Structure ◽  
Potential Method ◽  
Model Potential

The total electronic band structure energy for 29 elements

1966 ◽  
Vol 294 (1438) ◽  
pp. 376-392 ◽  
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Model Potential ◽  
Electronic Band ◽  
Atomic Properties ◽  
Phonon Spectra ◽  
Metal Properties ◽  
Band Structure Energy ◽  
Electron Band Structure

The total electronic band structure energy is calculated for 29 elements by the method of the screened model potential of Heine & Abarenkov (1964). The division of the total energy of a metal into free electron, band structure, and electrostatic parts follows the method initiated by Harrison (1963) for the calculation of atomic properties. By drawing an analogy with the procedure introduced by Cochran (1963) for the experimental determination of the electronic contribution to phonon spectra of metals, we arrive at a more convenient expression for the total band structure energy in a form applicable to the determination of atomic properties, phonon spectra, general interatomic forces, and possibly liquid metal properties. Numerical results are compared with those derived from experiment and from the o. p. w. pseudopotential method.

The electronic band structure of silicon

Physica ◽  
1954 ◽  
Vol 3 (7-12) ◽  
pp. 967-970
Author(s):  
D JENKINS
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band
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