Electronic structure and excited-state properties of Co<sub>2</sub>TiSn and Co<sub>2</sub>ZrSn from ab initio calculations
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 Co<sub>2</sub>TiSn and Co<sub>2</sub>ZrSn were investigated theoretically from first principles using the...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Institute for Condensed Matter Physics
2005-01-01
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| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.5488/CMP.8.3.565 |
| Summary: | 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 Co<sub>2</sub>TiSn and Co<sub>2</sub>ZrSn were investigated theoretically from first principles using the fully relativistic Dirac LMTO band structure method. The origin of the XMCD spectra at the Co L<sub>2,3</sub> edges in the compounds is examined. Densities of valence states, orbital and spin magnetic moments as well as optical spectra are analyzed and discussed. The calculated results are compared with the available experimental data. |
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| ISSN: | 1607-324X |