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cond-mat.mtrl-sci2025
An appraisal of Understanding Pressure Effects on Structural, Optical, and Magnetic Properties of CsMnF_{4} and Other 3d^{n} Compounds
Fernando Rodriguez
A recently published article in Inorganic Chemistry (DOI: 10.1021/acs.inorgchem.4c00599) offers theoretical calculations on the effects of pressure on the structural, optical, and…
cond-mat.mtrl-sci2023
Understanding the local structure, magnetism and optical properties in layered compounds with d9 ions: Insight into silver fluorides and K2CuF4
Inés Sánchez-Movellán, Guillermo Santamaría-Fernández, Pablo García-Fernández +2
Using first-principles DFT calculations, we analyze the origin of the different crystal structures, optical and magnetic properties of two basic families of layered fluoride materi…
cond-mat.mtrl-sci2008
MgAl2O4:Cr3+ and emerald display a different colour but the local symmetry is the same: Microscopic origin
J. M. Garcia-Lastra, M. T. Barriuso, J. A. Aramburu +1
The difference in colour between emerald (Be3Si6Al2O18:Cr3+, green) and the Cr3+-doped spinel MgAl2O4 (red) is striking, considering that in both systems colour is due to CrO69- co…