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Insulator-to-half metal transition and enhancement of structural distortions in [Formula: see text] double perovskite oxide via hole-doping

Using density functional theory calculations, we found that recently high-pressure synthesized double perovskite oxide [Formula: see text] exhibits ferrimagnetic (FiM) Mott-insulating state having an energy band gap of 0.20 eV which confirms the experimental observations (Feng et al. in Inorg Chem 5...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Sci Rep
1. Verfasser: Nazir, Safdar
Format: Artigo
Sprache:Inglês
Veröffentlicht: Nature Publishing Group UK 2021
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7806915/
https://ncbi.nlm.nih.gov/pubmed/33441783
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-020-80265-6
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