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- W2000471906 abstract "Abstract Using the first-principles projector augmented wave potential within the generalized gradient approximation, we investigate the magnetic and electronic properties in the bulk and (001) surface of the Heusler alloy Ti2MnAl with Hg2CuTi-type. For the bulk, our calculations indicate that the Heusler alloy Ti2MnAl exhibits antiferromagnetic half-metallicity at the equilibrium lattice constant. Owing to the surface effects, the half-metallicity which can be observed in bulk is destroyed in five terminations. The high spin polarization only maintains in TiMn-termination. Through further studies on the atomic magnetic moments, we find that the moment of surface Ti1 is enhanced obviously, as well as the absolute value of surface Mn atomic moment." @default.
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- W2000471906 date "2014-05-01" @default.
- W2000471906 modified "2023-10-14" @default.
- W2000471906 title "Magnetic properties and half-metallic in bulk and (001) surface of Ti2MnAl Heusler alloy with Hg2CuTi-type structure" @default.
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- W2000471906 doi "https://doi.org/10.1016/j.tsf.2014.03.007" @default.
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