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Estudo das propriedades estruturais, magnéticas, eletrônicas e ópticas das manganitas multiferróicas LuMnO3 e HoMnO3 via cálculos baseados em non-collinear spin DFT
(Pós-Graduação em FísicaUniversidade Federal de Sergipe, 2022)
Calculation of the interface exchange coupling constants between Fe and FeF2-like fluorides
(Elsevier Science, 2001-08)
The interface exchange coupling between ferromagnetic (F) and antiferromagnetic (AF) materials is interesting in itself and has also attracted recent attention in relation to the exchange bias phenomenon. A major difficulty ...
Energetics and electronic structure of UAl4 with point defects
(Elsevier Science, 2015-08)
UAl4 ideal and defect structures were studied within the framework of the Density Functional Theory. The structural and magnetic ordering of UAl4 in paramagnetic, ferromagnetic, and antiferromagnetic states have been ...
First-principles study of Mn3 adsorbed on Au (111) and Cu(111) surfaces
(Royal Soc Chemistry, England, 2021)
A theoretical study of the Mn trimer adsorbed on the noble metal surfaces Au(111) and Cu(111) is reported.
The calculations were performed using first-principles methods within the density functional theory and the
generalized ...
Estudo de propriedades magnéticas da ferrita multiferróica hexagonal LuFeO3 através de cálculos baseados na teoria do funcional da densidade
(Pós-Graduação em FísicaUniversidade Federal de Sergipe, 2018)
Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: A comparison of three relativistic computational methods
(American Institute of Physics, 2011-07)
We investigate the importance of relativistic effects on NMR shielding constants and chemical shifts of linear HgL2 (L = Cl, Br, I, CH 3) compounds using three different relativistic methods: the fully relativistic ...
Cálculos das propriedades eletrônicas e magnéticas da manganita multiferróica hexagonal HoMnO3
(Pós-Graduação em FísicaUniversidade Federal de Sergipe, 2018)
Propriedades magnéticas de nanoestruturas de metais de transição 3d em superfícies de Pd
(Universidade Federal do ParáBrasilInstituto de Ciências Exatas e NaturaisUFPAPrograma de Pós-Graduação em Física, 2014)
Estudo teórico das propriedades estruturais, eletrônicas e magnéticas da manganita hexagonal multiferróica LuMnO3
(Pós-Graduação em FísicaUniversidade Federal de Sergipe, 2018)