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Magnetic and Electronic Properties of Sr Doped Infinite-Layer NdNiO(2) Supercell: A Screened Hybrid Density Functional Study
To understand the influence of doping Sr atoms on the structural, magnetic, and electronic properties of the infinite-layer NdSrNiO(2), we carried out the screened hybrid density functional study on the Nd(9-n)Sr(n)Ni(9)O(18) (n = 0–2) unit cells. Geometries, substitution energies, magnetic moments,...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10223688/ https://www.ncbi.nlm.nih.gov/pubmed/37241740 http://dx.doi.org/10.3390/molecules28103999 |