Electronic structure, magnetic and optical properties of Co2TiZ (Z = B, Al, Ga, In) Heusler alloys
| Autor: | Vivek Kumar Jain, N. Lakshmi, Vishal Jain, Aarti R. Chandra, Rakesh Jain, K. Venugopalan |
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| Rok vydání: | 2018 |
| Předmět: |
010302 applied physics
Materials science Spintronics Spin polarization Condensed matter physics Magnetism 02 engineering and technology Electronic structure 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Optical conductivity Electronic Optical and Magnetic Materials Condensed Matter::Materials Science Ferromagnetism 0103 physical sciences Density of states Density functional theory 0210 nano-technology |
| Zdroj: | Journal of Magnetism and Magnetic Materials. 448:278-286 |
| ISSN: | 0304-8853 |
| DOI: | 10.1016/j.jmmm.2017.06.074 |
| Popis: | Electronic structure, magnetic and optical properties of Co 2 TiZ (Z = B, Al, Ga, In) Heusler alloys have been computed by density functional theory implemented in WIEN2k within generalized gradient approximation for exchange correlation functions. Lattices constants, bulk modulii, energy gaps, spin polarization and density of states have been calculated. Negative value of formation energy of these alloys evidences their stability. Spin polarization of Co 2 TiZ (Z = Al, B, Ga, In) are 100%, 99%, 97% and 80% respectively and Co 2 TiAl shows true half metallic ferromagnetism. Co 2 TiZ, for Z = B, Al, Ga, shows stable half metallically over a wide range of pressure making them suitable for fabricating thin films for spintronics applications. Optical parameters such as complex dielectric function, refractive index, reflectivity, absorption, extinction coefficient, optical conductivity have also been calculated. |
| Databáze: | OpenAIRE |
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