Half-metallic ferromagnetism in the zincblende TiTe |
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Authors: | F Ahmadian |
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Institution: | Department of physics, Shahreza Branch, Islamic Azad University, Shahreza, Iran |
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Abstract: | The first-principle calculations based on spin-polarized density functional theory were performed to investigate the structural, electronic and magnetic properties of TiTe compound. The results showed that the ground state phase of TiTe is a non-magnetic NiAs structure and the zincblende (ZB) TiTe structure becomes stable at −5.2 GPa. It was predicted that the ZB structure is a half-metal ferromagnet with a magnetic moment of per formula unit for the equilibrium lattice parameter. The minority- spin and spin-flip gaps were calculated equal to 2.84 eV and 0.2 eV, respectively. In addition, the reasons for appearance of half-metallicity and magnetism in the ZB TiTe were discussed. It was noted that the half-metallicity characteristic exists within a wide range of lattice constant which makes the ZB TiTe an interesting material in the field of spintronics. |
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Keywords: | A Half-metals D Magnetic properties D Electronic band structure |
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