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scopus(73)
Hydrogen 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: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:scopusEnergetics and the magnetic state of Mn<inf>2</inf> adsorbed on Au(111): Dimer bond distance dependence
ArticleAbstract: In this work we present a theoretical study of the adsorption Mn2 dimer on the Au(111) surface. HerePalabras claves:Diffusion of Mn 2, Magnetic bi-stability, Supported manganese dimerAutores:Calles A., José Mejía-López, López-Moreno S., Morán-López J.L., Munoz F.Fuentes:scopusEnergy contributions in magnetite nanoparticles: Computation of magnetic phase diagram, theory, and simulation
ArticleAbstract: In this study, we present a theoretical analysis of magnetization processes by considering energy coPalabras claves:Ferrimagnetic nanoparticles, Magnetic anisotropy, Magnetic phase transition, Modeling and simulation, Monte Carlo simulations, Surface magnetismAutores:José Mejía-López, Mazo-Zuluaga J.Fuentes:scopusErratum: (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 (Inorganic Chemistry (2019) 58:20 (13945-13952) DOI: 10.1021/acs.inorgchem.9b01853)
OtherAbstract: Page 13946. The authors found that some details in the synthesis section were incorrect. "Powder samPalabras claves:Autores:Barahona P., Galdámez A., José Mejía-López, Moris S., Peña O., Valencia-Gálvez P.Fuentes:scopusFe/Ni core/shell nanowires and nanorods: A combined first-principles and atomistic simulation study
ArticleAbstract: In recent years, construction and characterization of core-shell structures have attracted great attPalabras claves:Autores:José Mejía-López, López-Moreno S., Mazo-Zuluaga J., Velásquez É.A.Fuentes:scopusFinite size effects on the magnetocrystalline anisotropy energy in Fe magnetic nanowires from first principles
ArticleAbstract: The geometric and the electronic structures, the magnetic moments, and the magnetocrystalline anisotPalabras claves:ab initio calculations, Magnetic anisotropy, Magnetic nanowires, Magnetic phase transitionAutores:José Mejía-López, Morán-López J.L., Munoz F., Romero A.H.Fuentes:scopusFinite-length Fe nanowire arrays: The effects of magnetic anisotropy energy, dipolar interaction and system size on their magnetic properties
ArticleAbstract: In this study we report on the magnetic properties of finite-length Fe nanowire arrays. The samplesPalabras claves:anisotropy energy, dipolar interaction, Fe nanowire arrays, finite length Fe nanowires, magnetic properties, Monte Carlo, shape anisotropy energyAutores:José Mejía-López, Mazo-Zuluaga J., Ochoa A., 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:scopus