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The effect of defects on the electronic structure and magnetic map of the Fe2CrSi Heusler alloy: ab-initio calculations

✍ Scribed by B. A. Hamad


Book ID
111623657
Publisher
Springer
Year
2011
Tongue
English
Weight
932 KB
Volume
80
Category
Article
ISSN
1434-6036

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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