Towards enhancing the magnetic properties by morphology control of ATiO3 (A= Mn, Fe, Ni) multiferroic materials RAP Ribeiro, LHS Lacerda, E Longo, J Andrés, SR De Lazaro Journal of Magnetism and Magnetic Materials 475, 544-549, 2019 | 35 | 2019 |
Magnetic, electronic, ferroelectric, structural and topological analysis of AlFeO3, FeAlO3, FeVO3, BiFeO3 and PbFeO3 materials: theoretical evidences of magnetoelectric coupling LH da Silveira Lacerda, RAP Ribeiro, SR de Lazaro Journal of Magnetism and Magnetic Materials 480, 199-208, 2019 | 27 | 2019 |
Emerging research in science and engineering based on advanced experimental and computational strategies FA La Porta, CA Taft Springer Nature, 2020 | 24 | 2020 |
DFT approaches unraveling the surface and morphological properties of MnMoO4 LH da Silveira Lacerda, MA San-Miguel Applied Surface Science 567, 150882, 2021 | 22 | 2021 |
Density Functional Theory investigation of rhombohedral multiferroic oxides for photocatalytic water splitting and organic photodegradation LHS Lacerda, SR de Lazaro Journal of Photochemistry and Photobiology A: Chemistry 400, 112656, 2020 | 22 | 2020 |
A theoretical investigation of the Zn-doping influence on structural and electronic properties of BaTiO3 LHS Lacerda, SR de Lazaro Solid State Ionics 297, 36-42, 2016 | 20 | 2016 |
Multiferroism and magnetic ordering in new NiBO3 (B= Ti, Ge, Zr, Sn, Hf and Pb) materials: A DFT study LH da Silveira Lacerda, SR de Lazaro Journal of Magnetism and Magnetic Materials 465, 412-420, 2018 | 18 | 2018 |
Unraveling the relationship between exposed surfaces and the photocatalytic activity of Ag 3 PO 4: an in-depth theoretical investigation F Lipsky, LH da Silveira Lacerda, SR de Lazaro, E Longo, J Andrés, ... RSC advances 10 (51), 30640-30649, 2020 | 17 | 2020 |
Ruthenium (II)-arene complexes with monodentate aminopyridine ligands: Insights into redox stability and electronic structures and biological activity F Marszaukowski, IDL Guimarães, JP da Silva, LH da Silveira Lacerda, ... Journal of Organometallic Chemistry 881, 66-78, 2019 | 17 | 2019 |
Theoretical investigation on the surface and morphological properties of lead nickelate multiferroics: vacancy dependency LH da Silveira Lacerda, SR de Lazaro Journal of materials science 55 (16), 6875-6890, 2020 | 13 | 2020 |
Improvement of multiferroic property and change of magnetic ordering in new ANiO3 (A= Ti, Ge, Zr, Sn, Hf and Pb) LH da Silveira Lacerda, SR de Lazaro Computational Materials Science 153, 228-234, 2018 | 13 | 2018 |
Theoretical investigation of optical and structural properties of Ba-doped ZnO material LHS Lacerda, SR De Lazaro, RAP Ribeiro IOP Conference Series: Materials Science and Engineering 97 (1), 012005, 2015 | 13 | 2015 |
A diagnosis approach for semiconductor properties evaluation from ab initio calculations: Ag-based materials investigation LH da Silveira Lacerda, E Longo, J Andres, MA San-Miguel Journal of Solid State Chemistry 305, 122670, 2022 | 11 | 2022 |
Surface and morphology investigation of FeCrO3 material in ilmenite-, corundum-and lithium niobate-polymorphs LHS Lacerda, SR de Lazaro Surfaces and Interfaces 22, 100837, 2021 | 11 | 2021 |
Density functional theory N Flores-Holguín, J Frau, D Glossman-Mitnik, SR De Lazaro, ... | 11 | 2021 |
A DFT investigation on magnetoelectric coupling in PbBO3 (B= V, Cr, Mn, Co, and Cu) materials: the influence on multiferroic properties LH da Silveira Lacerda, SR de Lazaro Journal of Magnetism and Magnetic Materials 500, 166364, 2019 | 10 | 2019 |
Isomorphic substitution and intermediary energy levels: a new application of DFT modelling and semiconductor theory to describe p–n type junctions interface in heterostructures LHS Lacerda, SR de Lazaro physica status solidi (b) 254 (10), 1700119, 2017 | 10 | 2017 |
Ba-doped ZnO Materials: A DFT simulation to investigate the doping effect on ferroelectricity LHS Lacerda, SR Lazaro Química Nova 39, 261-266, 2016 | 10 | 2016 |
Magneto-optical coupling and Kerr effect in PbNiO3, PbCrO3, and PbMnO3 multiferroics: An excited-states approach LH da Silveira Lacerda, SR de Lazaro Journal of Magnetism and Magnetic Materials 514, 167176, 2020 | 8 | 2020 |
A broad theoretical investigation of R‐3, R3c and R‐3c polymorphs of FeCrO3 LHS Lacerda, SR de Lazaro Journal of the American Ceramic Society, 2020 | 8 | 2020 |