Functionalized few-layer silicene nanosheets: stability, elastic, structural, and electronic properties von Ipaves, Bruno, Justo, João F, V C Assali, Lucy

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Aluminum functionalized few-layer silicene as anode material for alkali metal ion batteries von Ipaves, Bruno, Justo, João F, Assali, Lucy V. C

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Spontaneous electric polarization and electric field gradient in hybrid improper ferroelectrics: insights and correlations von Santos, Samuel S. M, Marcondes, Michel L, Miranda, Ivan P, Rocha-Rodrigues, Pedro, Assali, Lucy V. C, Lopes, Armandina M. L, Petrilli, Helena M, Araujo, Joao P

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Cadmium-based ferroelectrics with the Ruddlesden-Popper and double perovskite structures: a theoretical study von Marcondes, Michel L, Santos, Samuel S. M, Miranda, Ivan P, Rocha-Rodrigues, Pedro, Assali, Lucy V. C, Lopes, Armandina M. L, Araujo, Joao P, Petrilli, Helena M

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On the stability of calcium and cadmium based Ruddlesden-Popper and double perovskite structures von Marcondes, Michel L, Santos, Samuel S. M, Miranda, Ivan P, Rocha-Rodrigues, Pedro, Assali, Lucy V. C, Lopes, Armandina M. L, Araújo, João P, Petrilli, Helena M

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Group IV Graphene- and Graphane-Like Nanosheets von Garcia, Joelson C, de Lima, Denille B, Assali, Lucy V. C, Justo, João F

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Group Theory Analysis to Study Phase Transitions of Quasi-2D Sr3Hf2O7 von da Silva, Estelina Lora, Gerami, Adeleh Mokhles, Lekshmi, P. Neenu, Marcondes, Michel L., Assali, Lucy V. C., Petrilli, Helena M., Correia, Joao Guilherme, Lopes, Armandina M. L., Araújo, João P.

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Carbon-Related Bilayers: Nanoscale Building Blocks for Self-Assembly Nanomanufacturing von Ipaves, Bruno, Justo, João F, Assali, Lucy V. C

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Iron in magnesium oxide at high pressures: a first principles theoretical investigation von Larico, Rolando, Justo, João F., Assali, Lucy V. C.

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General procedure for the calculation of accurate defect excitation energies from DFT-1/2 band structures: The case of the NV − center in diamond von Lucatto, Bruno, Assali, Lucy V. C., Pela, Ronaldo Rodrigues, Marques, Marcelo, Teles, Lara K.

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Electronic and magnetic properties of SnO2/CrO2 thin superlattices von Borges, Pablo D, Scolfaro, Luísa MR, Leite Alves, Horácio W, da Silva, Eronides F, Assali, Lucy VC

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Ca2MnO4 structural path: Following the negative thermal expansion at the local scale von Rocha-Rodrigues, Pedro, Santos, Samuel S M, Oliveira, Gonçalo N P, Leal, Tiago, Miranda, Ivan P, dos Santos, António M, Correia, João G, Assali, Lucy V C, Petrilli, Helena M, Araújo, João P, Lopes, Armandina M L

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Theoretical study of the influence of vacancies in the magnetic stability of V-, Cr-, and Mn-doped SnO2 von Borges, Pablo D., Scolfaro, Luisa M.R., Leite Alves, Horácio W., da Silva, Eronides F., Assali, Lucy V.C.

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Study of the oxygen vacancy influence on magnetic properties of Fe- and Co-doped SnO2 diluted alloys von Borges, Pablo D, Scolfaro, Luisa M R, Alves, Horacio W Leite, da Silva, Eronides F, Assali, Lucy V C

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Hyperfine interactions in silicon quantum dots von Assali, Lucy V. C., Petrilli, Helena M., Capaz, Rodrigo B., Koiller, Belita, Hu, Xuedong, Das Sarma, S.

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Importance of van der Waals interaction on structural, vibrational, and thermodynamic properties of NaCl von Marcondes, Michel L., Wentzcovitch, Renata M., Assali, Lucy V.C.

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Stability of calcium and magnesium carbonates at Earth's lower mantle thermodynamic conditions von Santos, Samuel S.M., Marcondes, Michel L., Justo, João F., Assali, Lucy V.C.

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Magnetic and electronic properties of Sn1–xCrxO2 diluted alloys von Borges, Pablo D., Scolfaro, Lui'sa M.R., Alves, Horácio W. Leite, da Silva, Eronides F., Assali, Lucy V.C.

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Calcium carbonate at high pressures and high temperatures: A first-principles investigation von Santos, Samuel S.M., Marcondes, Michel L., Justo, João F., Assali, Lucy V.C.

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Tuning the Electronic and Mechanical Properties of Two-Dimensional Diamond through N and B Doping von Ipaves, Bruno, Justo, João F., Sanyal, Biplab, Assali, Lucy V. C.

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