Relativistic DFT-1/2 Calculations Combined with a Statistical Approach for Electronic and Optical Properties of Mixed Metal Hybrid Perovskites von Guedes-Sobrinho, Diego, Guilhon, Ivan, Marques, Marcelo, K. Teles, Lara

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Coincidence Lattices of 2D Crystals: Heterostructure Predictions and Applications von Koda, Daniel S, Bechstedt, Friedhelm, Marques, Marcelo, Teles, Lara K

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Deposition of topological silicene, germanene and stanene on graphene-covered SiC substrates von Matusalem, Filipe, Koda, Daniel S., Bechstedt, Friedhelm, Marques, Marcelo, Teles, Lara K.

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Stability and electronic structure of two-dimensional allotropes of group-IV materials von Matusalem, Filipe, Marques, Marcelo, Teles, Lara K., Bechstedt, Friedhelm

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Approximation to density functional theory for the calculation of band gaps of semiconductors von Ferreira, Luiz G., Marques, Marcelo, Teles, Lara K.

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Electronic Structure Panorama of Halide Perovskites: Approximated DFT-1/2 Quasiparticle and Relativistic Corrections von Valadares, Fernando, Guilhon, Ivan, Teles, Lara K, Marques, Marcelo

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Tuning Electronic Properties and Band Alignments of Phosphorene Combined With MoSe2 and WSe2 von Koda, Daniel S, Bechstedt, Friedhelm, Marques, Marcelo, Teles, Lara K

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DFT-1/2 method applied to 3D topological insulators von Mota, Tulio, Matusalem, Filipe, Marques, Marcelo, Teles, Lara K, Guilhon, Ivan

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DFT-1/2 method applied to 2D topological insulators: fluorinated and hydrogenated group-IV honeycomb systems von Matusalem, Filipe, Bechstedt, Friedhelm, Guilhon, Ivan, Marques, Marcelo, Teles, Lara K

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Electronic properties of fluorides by efficient approximated quasiparticle DFT-1/2 and PSIC methods: BaF2, CaF2 and CdF2 as test cases von Matusalem, Filipe, Marques, Marcelo, Teles, Lara K, Filippetti, Alessio, Cappellini, Giancarlo

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Quantum spin Hall phase in stanene-derived overlayers on passivated SiC substrates von Matusalem, Filipe, Bechstedt, Friedhelm, Marques, Marcelo, Teles, Lara K.

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Slater half-occupation technique revisited: the LDA-1/2 and GGA-1/2 approaches for atomic ionization energies and band gaps in semiconductors von Ferreira, Luiz G., Marques, Marcelo, Teles, Lara K.

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Efficient calculation of excitonic effects in solids including approximated quasiparticle energies von Matusalem, Filipe, Marques, Marcelo, Guilhon, Ivan, Teles, Lara K

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Thermodynamic Stability and Structural Insights for CH3NH3Pb1−xSixI3, CH3NH3Pb1−xGexI3, and CH3NH3Pb1−xSnxI3 Hybrid Perovskite Alloys: A Statistical Approach from First Principles... von Guedes-Sobrinho, Diego, Guilhon, Ivan, Marques, Marcelo, Teles, Lara K.

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Accurate and Efficient Approximate Quasiparticle DFT‐1/2 Band Structure Calculations of Transition Metal Oxide Perovskites von Yagui, Lucas, Guilhon, Ivan, Marques, Marcelo, Teles, Lara K.

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Trends on band alignments: Validity of Anderson's rule in SnS2- and SnSe2-based van der Waals heterostructures von Koda, Daniel S, Bechstedt, Friedhelm, Marques, Marcelo, Teles, Lara K

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Mathematical modeling and investigation on the role of demography and contact patterns in social distancing measures effectiveness in COVID-19 dissemination von Ridenti, Marco A, Teles, Lara K, Maranhão, Alexandre, Teles, Vladimir K

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Quantization of spin Hall conductivity in two-dimensional topological insulators versus symmetry and spin-orbit interaction von Matusalem, Filipe, Marques, Marcelo, Teles, Lara K., Matthes, Lars, Furthmüller, Jürgen, Bechstedt, Friedhelm

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Coincidence Lattices and Interlayer Twist in van der Waals Heterostructures: Application of the Coincidence Lattice Method on hBN/MoSe2 Heterobilayer Systems von Koda, Daniel S., Bechstedt, Friedhelm, Marques, Marcelo, Teles, Lara K.

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Charge transition levels of Mn-doped Si calculated with the GGA-1/2 method von Matusalem, Filipe, Pelá, Ronaldo R., Marques, Marcelo, Teles, Lara K.

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