Title :
First-Principles Calculation and Experimental Investigations on Full-Heusler Alloy Co
FeGe
Author :
Kumar, K. Ramesh ; Bharathi, K. Kamala ; Chelvane, J. Arout ; Venkatesh, S. ; Markandeyulu, G. ; Harishkumar, N.
Author_Institution :
Dept. of Phys., Indian Inst. of Technol. (Madras), Chennai, India
Abstract :
First-principles calculation has been carried out for the full Heusler alloy Co2FeGe within the scheme of density functional theory using plane-wave self-consistent field method. The spin polarized band structure does not show any energy gap at the Fermi level for both up and down spin electrons. Atom resolved magnetic moment on each site was observed to be 1.3 muB (Co), 2.9 muB (Fe), and 0.0 muB (Ge). X-ray diffraction studies reveal a B2-type structure for the bulk sample and cubic L21 structure for the melt-spun ribbons. The lattice parameter value for the ribbon is 5.736 Aring, and its Curie temperature is around 981 K. The magnetic moment per formula unit at 5 K was observed to be 5.74 muB. The low temperature data ( < 100 K) follows the relationrho = rho0 + AT2 + BT4.5 , indicating the presence of one magnon spin-flip scattering.
Keywords :
Curie temperature; Fermi level; X-ray diffraction; cobalt alloys; density functional theory; energy gap; germanium alloys; iron alloys; lattice constants; magnetic moments; magnons; B2-type structure; Co2FeGe; Curie temperature; Fermi level; Heusler alloy; X-ray diffraction; atom resolved magnetic moment; density functional theory; energy gap; first-principle calculation; lattice parameter; magnon spin-flip scattering; melt-spun ribbons; plane-wave self-consistent field method; spin electron; spin polarized band structure; Full Heusler alloy; half-metal; magnetoeletronic materials; melt-spun ribbon;
Journal_Title :
Magnetics, IEEE Transactions on
DOI :
10.1109/TMAG.2009.2022748