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Electronic structure of Co (Si, Ge) compounds: Ab-initio calculation

✍ Scribed by G.I. Ameereh; B.A. Hamad; J.M. Khalifeh


Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
908 KB
Volume
403
Category
Article
ISSN
0921-4526

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An ab initio self-consistent-field (scF) algorithm taking into account all the features of the one-dimensional translational periodicity and the helical symmetry is presented. This algorithm includes the long-range correction to the Coulomb potential and is designed to calculate the band structure o