Spintronic properties of the Ti2CoB Heusler compound by density functional theory |
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Authors: | Selçuk Kervan Nazmiye Kervan |
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Institution: | Nev?ehir University, Faculty of Arts and Sciences, Physics Department, 50300, Nev?ehir, Turkey |
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Abstract: | The electronic structure and magnetic properties of the Ti2CoB Heusler compound with a high-ordered CuHg2Ti structure were investigated using the self-consistent full potential linearized augmented plane wave (FPLAPW) method within the density functional theory (DFT). Spin-polarized calculations show that the Ti2CoB compound is half-metallic ferromagnetic with a magnetic moment of 2 μB at the equilibrium lattice constant, a=5.74 Å. The Ti2CoB Heusler compound is ferromagnetic below the equilibrium lattice constant and ferrimagnetic above the equilibrium lattice constant. A large peak in majority-spin DOS and an energy gap in minority-spin DOS are observed at the Fermi level, yielding a spin polarization of 100%. A spin polarization higher than 90% is achieved for a wide range of lattice constants between 5.6 and 6.0 Å. |
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Keywords: | A Magnetically ordered materials D Electronic band structure |
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