Electronic, magnetic and transport properties of Co2TiZ (Z=Si, Ge and Sn): A first-principle study |
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Authors: | Vinit Sharma Arti Kashyap |
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Affiliation: | a Condensed Matter Theory Group, The LNM Institute of Information Technology, Jaipur 302031, India b Central Computer Center, Malaviya National Institute of Technology, Jaipur 302017, India |
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Abstract: | We have studied the electronic structure, magnetic and transport properties of some Co based full Heusler alloys, namely Co2TiZ (Z=Si, Ge and Sn), in the frame work of first-principle calculations. The calculations show that Co2TiZ (X=Si, Ge and Sn) are to be half-metallic compounds with a magnetic moment of 2 μB, well consistent with the Slater-Pauling rule. The electronic structure results reveal that Co2TiZ has the high density of states at the Fermi energy in the majority-spin state and show 100% spin polarization. Our results also suggest that both the electronic and magnetic properties in these compounds are intrinsically related to the appearance of the minority-spin gap. The origin of energy gap in the minority-spin states is discussed in terms of the electron splitting of Z (Z=Si, Ge and Sn) and 3d Co atoms and also the d-d hybridization between the Co and Ti atoms. The transport properties of these materials are discussed on the basis of Seebeck coefficients, electrical conductivity coefficients and thermal conductivity coefficients. |
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Keywords: | Heusler alloy Band structure Magnetic property Transport property |
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