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- W2759792914 abstract "In this study we report the results of ab initio first-principles calculations to investigate the possibility of metamagnetic behavior in FeAl alloy. We used the WIEN2k package of full-potential linearized-augmented- plane-wave method within the local-spin-density approximation to the density-functional theory. The exchange-correlation functional is the generalized-gradient approximation of Perdew-Burke-Ernzerhof. The theoretical lattice constant, which is about 0.5% smaller than the experimental one, is obtained by minimizing the total energy. If the volume decreases about 9 % from the equilibrium, the total magnetic moment decreases abruptly from 4.6 /f.u. to 4.0 /f.u. Since this change is considerably large (∼14%), it is possible to measure by a simple high-pressure experiment at about 180 kbar." @default.
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- W2759792914 date "2003-01-01" @default.
- W2759792914 modified "2023-09-22" @default.
- W2759792914 title "Metamagnetism in $Fe_3$Al Alloy" @default.
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