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scopus(29)
(Cu)<inf>tet</inf>(Cr<inf>2- x</inf>Sn<inf>x</inf>)<inf>oct</inf>S<inf>4- y</inf>Se<inf>y</inf> Spinels: Crystal Structure, Density Functional Theory Calculations, and Magnetic Behavior
ArticleAbstract: A new series of (Cu)tet[Cr2-xSnx]octS4-ySey compounds was prepared by solid-state reaction at high tPalabras claves:Autores:Barahona P., Galdámez A., José Mejía-López, Moris S., Peña O., Valencia-Gálvez P.Fuentes:scopusA charge optimized many-body potential for iron/iron-fluoride systems
ArticleAbstract: A classical interatomic potential for iron/iron-fluoride systems is developed in the framework of thPalabras claves:Autores:José Mejía-López, Romero A.H., Tangarife E.Fuentes:scopusAb initio study of the magnetic behavior of metal hydrides: A comparison with the Slater-Pauling curve
ArticleAbstract: We investigated the magnetic behavior of metal hydrides FeHx, CoHx and NiHx for several concentratioPalabras claves:CoH x, FeH x, Ferromagnetics metal hydrides, Metal hydrides alloys, NiH x, Slater-Pauling curveAutores:José Mejía-López, León A.M., Vargas P., Velásquez É.A.Fuentes:scopusEffect of sulphur doping on manganese clusters: An ab initio study
ArticleAbstract: We report a structural, electronic and magnetic analysis of minimal Mn nS clusters, n = 1-13, from aPalabras claves:Autores:José Mejía-López, Pinto J., Romero A.H.Fuentes:scopusEffect of surface anisotropy on the magnetic properties of magnetite nanoparticles: A Heisenberg-Monte Carlo study
ArticleAbstract: In this study, we analyze the effect of surface anisotropy on the magnetic properties of magnetite FPalabras claves:Autores:José Mejía-López, Mazo-Zuluaga J., Restrepo J.Fuentes:scopusHydrogen induced AFM to FM magnetic transition in ε-FeH<inf>x</inf>
ArticleAbstract: We study the magnetic behavior of the metallic system ∊-FeHx as a function hydrogen concentration (xPalabras claves:Autores:José Mejía-López, León A.M., Torres F., Vargas P., Velásquez É.A.Fuentes:scopusFirst-principles study of electronic, vibrational, elastic, and magnetic properties of FeF <inf>2</inf> as a function of pressure
ArticleAbstract: We report systematic ab initio calculations of the electronic band structure, phonon dispersion relaPalabras claves:Autores:José Mejía-López, López-Moreno S., Muñoz A., Romero A.H., Roshchin I.V.Fuentes:scopusFirst-principles study of pressure-induced structural phase transitions in MnF<inf>2</inf>
ArticleAbstract: In this work we report a complete structural and magnetic characterization of crystalline MnF2 underPalabras claves:Autores:José Mejía-López, López-Moreno S., Muñoz A., Romero A.H.Fuentes:scopusInfluence of non-stoichiometry on the magnetic properties of magnetite nanoparticles
ArticleAbstract: In this study we investigate the magnetic properties of magnetite fine particles using Monte Carlo sPalabras claves:Autores:José Mejía-López, Mazo-Zuluaga J., Restrepo J.Fuentes:scopusEncapsulation effect of π-conjugated quaterthiophene on the radial breathing and tangential modes of semiconducting and metallic single-walled carbon nanotubes
ArticleAbstract: We developed a hybrid approach, combining the density functional theory, molecular mechanics, bond pPalabras claves:Charge transfer, CNTs, Raman spectroscopy, ThiopheneAutores:Boutahir M., Chadli H., Chenouf J., Fakrach B., Hermet P., José Mejía-López, Rahmani A.Fuentes:scopus