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Revisiting the Structural, Electronic, and Magnetic Properties of (LaO)MnAs: Effect of Hubbard Correction and Origin of Mott-Insulating Behavior

[Image: see text] We study the structural, electronic, and magnetic properties of the antiferromagnetic-layered oxyarsenide (LaO)MnAs system from the first-principle calculation. The increasing Hubbard energy (U) in the Mn 3d orbital induces the increasing local-symmetry distortions (LSDs) in MnAs(4...

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Detalles Bibliográficos
Autores principales: Widita, Rena, Muhammady, Shibghatullah, Prasetiyawati, Rahma Dhani, Marlina, Resti, Suryanegara, Lisman, Purnama, Budi, Kurniadi, Rizal, Darma, Yudi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7906576/
https://www.ncbi.nlm.nih.gov/pubmed/33644556
http://dx.doi.org/10.1021/acsomega.0c05889