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The role of 2D/3D spin-polarization interactions in hybrid copper hydroxide acetate: new insights from first-principles molecular dynamics

The magnetic properties response of the layered hybrid material copper hydroxide acetate Cu(2)(OH)(3)CH(3)COO·H(2)O is studied as a function of the applied pressure within first-principles molecular dynamics. We are able to elucidate the interplay between the structural properties of this material a...

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Detalles Bibliográficos
Autores principales: Chaker, Ziyad, Ori, Guido, Boero, Mauro, Massobrio, Carlo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Beilstein-Institut 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5405678/
https://www.ncbi.nlm.nih.gov/pubmed/28503395
http://dx.doi.org/10.3762/bjnano.8.86