Magnetic and Electronic Properties of Sr Doped Infinite-Layer NdNiO<sub>2</sub> Supercell: A Screened Hybrid Density Functional Study

Magnetic and Electronic Properties of Sr Doped Infinite-Layer NdNiO<sub>2</sub> 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<sub>2</sub>, we carried out the screened hybrid density functional study on the Nd<sub>9-<i>n</i></sub>Sr<i><sub>n</s...

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Bibliographic Details
Main Authors: Yawen Hua, Meidie Wu, Qin Qin, Siqi Jiang, Linlin Chen, Yiliang Liu
Format: Article
Language:English
Published: MDPI AG 2023-05-01
Series:Molecules
Subjects:
Nd<sub>9<i>-n</i></sub>Sr<i><sub>n</sub></i>Ni<sub>9</sub>O<sub>18</sub> (<i>n</i> = 0–2)
magnetism
electronic structure
HSE06
Online Access:https://www.mdpi.com/1420-3049/28/10/3999

Internet

https://www.mdpi.com/1420-3049/28/10/3999

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