RT info:eu-repo/semantics/article
T1 Tuning the Magnetic Moment of Small Late 3d-Transition-Metal Oxide Clusters by Selectively Mixing the Transition-Metal Constituents
A1 Aguilera del Toro, Rodrigo Humberto
A1 Torres, María
A1 Aguilera Granja, Juan Faustino
A1 Vega Hierro, Andrés
K1 Magnetism
K1 22 Física
AB Transition-metal oxide nanoparticles are relevant for many applications in different areas where their superparamagnetic behavior and low blocking temperature are required. However, they have low magnetic moments, which does not favor their being turned into active actuators. Here, we report a systematical study, within the framework of the density functional theory, of the possibility of promoting a high-spin state in small late-transition-metal oxide nanoparticles through alloying. We investigated all possible nanoalloys An−xBxOm (A, B = Fe, Co, Ni; n = 2, 3, 4; 0≤x≤n) with different oxidation rates, m, up to saturation. We found that the higher the concentration of Fe, the higher the absolute stability of the oxidized nanoalloy, while the higher the Ni content, the less prone to oxidation. We demonstrate that combining the stronger tendency of Co and Ni toward parallel couplings with the larger spin polarization of Fe is particularly beneficial for certain nanoalloys in order to achieve a high total magnetic moment, and its robustness against oxidation. In particular, at high oxidation rates we found that certain FeCo oxidized nanoalloys outperform both their pure counterparts, and that alloying even promotes the reentrance of magnetism in certain cases at a critical oxygen rate, close to saturation, at which the pure oxidized counterparts exhibit quenched magnetic moments
PB MDPI
YR 2020
FD 2020
LK http://uvadoc.uva.es/handle/10324/42623
UL http://uvadoc.uva.es/handle/10324/42623
LA eng
NO Nanomaterials 2020, 10(9), 1814
NO Producción Científica
DS UVaDOC
RD 27-dic-2024