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- W2363243531 abstract "Using first-principles calculations based on density functional theory,we investigated systematically the dependence of pressure on electronic structures and magnetic properties of Fe16N2 system.The results indicate that only Fe III,which is located far from the N atom,possess the giant magnetic moment of approximately 2.84 μB and there is no giant magnetic moment for Fe I and Fe II atoms.In addition,it was found that total magnetic moment and unit cell volume in Fe16N2 system decrease monotonously with the increase of pressure from 0 to 47 GPa.At 48 GPa,the total magnetic moment vanishes." @default.
- W2363243531 created "2016-06-24" @default.
- W2363243531 creator A5018742393 @default.
- W2363243531 date "2011-01-01" @default.
- W2363243531 modified "2023-10-16" @default.
- W2363243531 title "Effect of pressure on electronic structure and magnetic properties of Fe_(16)N_2" @default.
- W2363243531 hasPublicationYear "2011" @default.
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