Title of article :
Study of Half-metallic Properties of Co2YGe (Y = Sc, Ti, V, Cr, Mn, Fe): A Density Functional Theory
Author/Authors :
Rai, Dibya Prakash mizoram university - department of physics, condensed matter theory group, India , Shankar, Amit mizoram university - department of physics, condensed matter theory group, India , Sandeep mizoram university - department of physics, condensed matter theory group, India , Devi, Nirmala mizoram university - department of physics, condensed matter theory group, India , Singh, Laishram Robindro North-Eastern Hill University - Department of Nanotechnology, India , Sharma, Brojen Indrajit Assam University - Department of Physics, India , Ghimire, Madhav Prasad National Institute of Material Sciences, Japan , Thapa, Ram Kumar mizoram university - department of physics, condensed matter theory group, India
Abstract :
Abstract: Based on density functional theory (DFT) calculations, the electronic and magnetic properties of Co2YGe Heusler compounds (Y = Sc, Ti, V, Cr, Mn and Fe) were investigated. The density of states (DOS) and band structures were studied to understand their electronic properties. Of the investigated systems, Co2CrGe and Co2MnGe exhibited 100% spin polarisation at the EF. Co2CrGe was the most stable half-metallic ferromagnet (HMF) with a 0.24 eV energy gap at the Fermi level in the spin down channel. The total magnetic moment also increased as Y went from Sc to Fe, i.e., with increasing valence electrons. The calculated magnetic moments for Co2CrGe and Co2MnGe were 3.999 μB and 5.00 μB, respectively. Based on the calculated results, the HMF character was predicted for Co2CrGe and Co2MnGe.
Keywords :
Half metallic properties , local spin density approximation , density of states , band structure , HMF , spin polarisation
Journal title :
Journal of Physical Science
Journal title :
Journal of Physical Science
