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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,...

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Detalles Bibliográficos
Autores principales:	Hua, Yawen, Wu, Meidie, Qin, Qin, Jiang, Siqi, Chen, Linlin, Liu, Yiliang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
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

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