Ab-initio Calculation of Electronic and Magnetic Properties of Mn1−x Cr x Te
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The electronic and magnetic properties of Mn1−x Cr x Te of NiAs-type and zinc-blend type structures are theoretically investigated using the first-principles KKR-CPA method. It is concluded that at low concentration region of Cr, an antiferromagnetic state is the ground-state, while a ferrimagnetic state is more stable at higher concentration region of Cr in the both types of structures. In particular, a new type of half-metallic ferrimagnets is found in zinc-blend type Mn1−x Cr x Te. On the other hand, a nearly half-metallic behavior is observed in NiAs-type Mn1−x Cr x Te, where the Fermi level locates slightly above the minority spin band gap. The features of the half-metallicity of Mn1−x Cr x Te in zinc-blend structure are also seen in the results of the conductivity calculations using the Kubo–Greenwood formula.
KeywordsSpintronics Half-metal ferrimagnets Electronic structure calculation KKR-CPA
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- 12.Turek, I., Kudronovsky, J., Drchal, V., Weinberger, P.: J. Magn. Magn. Mater. 272–276, 2004 (1987) Google Scholar