SEMICONDUCTOR MATERIALS

Prediction of semiconducting behavior in minority spin of Co2CrZ (Z = Ga, Ge, As): LSDA

D. P. Rai and R. K. Thapa

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Abstract: Volume optimization was performed to obtain the theoretical lattice constants by using the generalized gradient approximation (GGA). The electronic and magnetic properties of Heusler alloys Co2CrZ (Z = Ga, Ge, As) were investigated by using local spin density approximation (LSDA). Amongst the systems under investigation, Co2CrGe and Co2CrGa give 100% spin polarization at the Fermi level (EF). Co2CrGe and Co2CrGa are the most stable half-metallic ferromagnets (HMFs); their EF lie exactly at the gap of 0.24 eV and 0.38 eV, respectively, in the spin-down channel. Even though Co2CrAs gives a distinct and bigger gap as compared to Co2CrGa and Co2CrGe, its EF is not located at the middle of the gap in the spin-down channel. We have also found that the total magnetic moments increase as the Z goes from Ga to As. The calculated density of states and band structures show the HMF character for Co2CrGe and Co2CrGa.

Key words: GGAhalf-metallicityDOSspin polarization and band structure

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    Received: 03 December 2014 Revised: 05 July 2012 Online: Published: 01 December 2012

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      D. P. Rai, R. K. Thapa. Prediction of semiconducting behavior in minority spin of Co2CrZ (Z = Ga, Ge, As): LSDA[J]. Journal of Semiconductors, 2012, 33(12): 123001. doi: 10.1088/1674-4926/33/12/123001 D. P. Rai, R. K. Thapa. Prediction of semiconducting behavior in minority spin of Co2CrZ (Z = Ga, Ge, As): LSDA[J]. J. Semicond., 2012, 33(12): 123001. doi: 10.1088/1674-4926/33/12/123001.Export: BibTex EndNote
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      D. P. Rai, R. K. Thapa. Prediction of semiconducting behavior in minority spin of Co2CrZ (Z = Ga, Ge, As): LSDA[J]. Journal of Semiconductors, 2012, 33(12): 123001. doi: 10.1088/1674-4926/33/12/123001

      D. P. Rai, R. K. Thapa. Prediction of semiconducting behavior in minority spin of Co2CrZ (Z = Ga, Ge, As): LSDA[J]. J. Semicond., 2012, 33(12): 123001. doi: 10.1088/1674-4926/33/12/123001.
      Export: BibTex EndNote

      Prediction of semiconducting behavior in minority spin of Co2CrZ (Z = Ga, Ge, As): LSDA

      doi: 10.1088/1674-4926/33/12/123001
      • Received Date: 2014-12-03
      • Accepted Date: 2012-06-22
      • Revised Date: 2012-07-05
      • Published Date: 2012-11-13

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