期刊
MAGNETOCHEMISTRY
卷 6, 期 4, 页码 -出版社
MDPI
DOI: 10.3390/magnetochemistry6040061
关键词
PtxFe1-x; PtxCo1-x; PtxNi1-x; Stoner; itinerant; spin-polarized; band structure; density functional theory; DFT
The electronic band structures of the ordered L1(2) and L1(0) phases of the PtxM1-x (M = Fe, Co and Ni) alloys were investigated using spin-polarized density functional theory (DFT). The relative contributions of both itinerant (Stoner) and localized magnetism at the high-symmetry k-points were determined and discussed qualitatively. Significant directional effects were identified along the A and R directions of the L1(0) and L1(2) alloys, respectively, and are discussed in terms of charge channeling effects.
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