Journal
JOURNAL OF APPLIED PHYSICS
Volume 115, Issue 11, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4868469
Keywords
-
Categories
Funding
- Alexander von Humboldt foundation
Ask authors/readers for more resources
Density functional theory calculations are performed to investigate the structural, electronic, and magnetic properties of bulk structures of Co2YGa (Y = Cr, Mn) Heusler alloys and the surfaces along the (100) orientation. The bulk structures of both alloys show a ferromagnetic behavior with total magnetic moments of 3.03 mu(B) and 4.09 mu(B) and high spin polarizations of 99% and 67% for Co2CrGa and Co2MnGa, respectively. The surfaces are found to exhibit corrugations due to different relaxations of the surface atoms. For the case of Co2CrGa, two surfaces preserve the half metallicity, namely those with Cr-Ga and Ga- terminations with high spin polarizations above 90%, whereas it dropped to about 50% for the other surfaces. However, the spin polarizations of Co-Co and Mn-Ga terminated surfaces remain close to that of bulk Co2MnGa alloy, whereas it is suppressed down to 17% for Co-termination. The highest local magnetic moments are found to be 3.26 mu(B) and 4.11 mu(B) for Cr and Mn surface atoms in Cr-Ga and Mn- terminated surfaces, respectively. (C) 2014 AIP Publishing LLC.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available