Electronic structure and excited-state properties of Co₂TiSn and Co₂ZrSn from ab initio calculations

• Published in: Condensed Matter Physics
• Date: 2005
• Main Authors: Bekenov, L.V., Antonov, V.N., Shpak, A.P., Yaresko, A.N.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2005
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/119751
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Electronic structure and excited-state properties of Co₂TiSn and Co₂ZrSn from ab initio calculations / L.V. Bekenov, V.N. Antonov, A.P. Shpak, A.N. Yaresko // Condensed Matter Physics. — 2005. — Т. 8, № 3(43). — С. 565–577. — Бібліогр.: 38 назв. — англ.

The electronic structure, magnetism as well as the excited-state properties such as the optical and x-ray magnetic circular dichroism (XMCD) spectra of the Heusler alloys Co₂TiSn and Co₂ZrSn were investigated theoretically from first principles using the fully relativistic Dirac LMTO band structu...