artículo con referato
"Interplay of Coordination Environment and Magnetic Behavior of Layered Co(II) Hydroxichlorides: A DFT+U Study"
Diego Hunt, Matías Jobbagy and Damián A. Scherlis
Inorg. Chem. 57(9) (2018) 4989-4996
Abstract
Layered α-Co(OH)2 solids exhibit cobalt sites in both octahedric and tetrahedric environments, which fraction can be synthetically controlled. Electronic structure calculations, taking into account the spin orientation of cobalt ions inside the sheet, show how the antiferromagnetism, the band gap, and the overall structure of the compound are affected by the relative abundance of one kind of environment with respect to the other.
DEPARTAMENTO FISICA DE LA MATERIA CONDENSADA