2024-03-28T08:37:24Zhttp://uvadoc.uva.es/oai/requestoai:uvadoc.uva.es:10324/426232021-08-18T09:50:12Zcom_10324_36327com_10324_954com_10324_894com_10324_1159com_10324_931col_10324_36329col_10324_1310
Aguilera del Toro, Rodrigo Humberto
Torres, María
Aguilera Granja, Juan Faustino
Vega Hierro, Andrés
2020-09-28T13:03:54Z
2020-09-28T13:03:54Z
2020
Nanomaterials 2020, 10(9), 1814
http://uvadoc.uva.es/handle/10324/42623
10.3390/nano10091814
1814
9
Nanomaterials
10
2079-4991
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
eng
info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-nd/4.0/
Attribution-NonCommercial-NoDerivatives 4.0 Internacional
Tuning the Magnetic Moment of Small Late 3d-Transition-Metal Oxide Clusters by Selectively Mixing the Transition-Metal Constituents
info:eu-repo/semantics/article