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- W2986885197 abstract "The peculiar magnetic properties of rare earth nitrides (RENs) make them suitable for a wide range of applications. Here, we report on a density functional theory (DFT) study of an interesting member of the family, two-dimensional (2D) NdN film, using the generalized gradient approximation (GGA), including the Hubbard (U) parameter. We consider different film thicknesses, taking into account the effects of N vacancies (VN) and dopants (C and O). Formation energy values show that, even though N vacancy is the predominant defect, C and O dopants are also probable impurities in these films. Individual Nd and N magnetic moments oscillate in the presence of VN and dopants owing to the induced lattice distortions. The density of states calculations show that the 2D NdN film has a semi-metallic nature, while the f orbitals are separated into fully filled and empty bands. A magnetic anisotropy energy of ∼50 μeV is obtained, and the easy axis aligns along the film orientation as the film thickness increases, revealing that such films are ideal candidates for spintronic applications." @default.
- W2986885197 created "2019-11-22" @default.
- W2986885197 creator A5023148473 @default.
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- W2986885197 date "2019-01-01" @default.
- W2986885197 modified "2023-09-23" @default.
- W2986885197 title "Structural, magnetic and electronic properties of two dimensional NdN: an ab initio study" @default.
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- W2986885197 doi "https://doi.org/10.1039/c9ra07429e" @default.
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