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Contactless doping characterization of ${\mathrm{Ga}_{2}\mathrm{O}_{3}}$ using acceptor Cd probes / Barbosa, Marcelo B (Porto U. ; Singapore Natl. U.) ; Correia, João Guilherme (IST/ITN, Lisbon ; CERN) ; Lorenz, Katharina (Lisbon, IST) ; Lopes, Armandina M L (Porto U.) ; Oliveira, Gonçalo N P (Porto U.) ; Fenta, Abel S (CERN ; Aveiro U. ; Leuven U.) ; Schell, Juliana (CERN ; U. Duisburg-Essen) ; Teixeira, Ricardo (IST, Lisbon (main)) ; Nogales, Emilio (Madrid U.) ; Méndez, Bianchi (Madrid U.) et al.
Finding suitable p-type dopants, as well as reliable doping and characterization methods for the emerging wide bandgap semiconductor $\beta$-${\mathrm{Ga}_{2}\mathrm{O}_{3}}$ could strongly influence and contribute to the development of the next generation of power electronics. In this work, we combine easily accessible ion implantation, diffusion and nuclear transmutation methods to properly incorporate the Cd dopant into the $\beta$-${\mathrm{Ga}_{2}\mathrm{O}_{3}}$ lattice, being subsequently characterized at the atomic scale with the Perturbed Angular Correlation (PAC) technique and Density Functional Theory (DFT) simulations. [...]
2022 - 9 p. - Published in : Sci. Rep. 12 (2022) 14584 Fulltext: PDF;

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Group Theory Analysis to Study Phase Transitions of Quasi-2D Sr$_{3}$Hf$_{2}$O$_{7}$ / Lora da Silva, Estelina (Porto U.) ; Gerami, Adeleh Mokhles (IPM, Tehran ; CERN) ; Neenu Lekshmi, P (Porto U.) ; Marcondes, Michel L (Sao Paulo U.) ; Assali, Lucy V C (Sao Paulo U.) ; Petrilli, Helena M (Sao Paulo U.) ; Correia, Joao Guilherme (CERN ; Lisbon U.) ; Lopes, Armandina M L (Porto U.) ; Araújo, João P (Porto U.)
We present an $ab-initio$ study performed in the framework of density functional theory, group-subgroup symmetry analysis and lattice dynamics, to probe the octahedral distortions, which occur during the structural phase transitions of the quasi-2D layered perovskite Sr$_{3}$Hf$_{2}$O$_{7}$ compound. Such a system is characterized by a high-temperature I4/mmm centrosymmetric structure and a ground-state Cmc21 ferroelectric phase. [...]
2021 - 16 p. - Published in : Nanomaterials 11 (2021) 897 Fulltext: PDF;

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Ca$_2$MnO$_4$ structural path: Following the negative thermal expansion at the local scale / Rocha-Rodrigues, Pedro (Porto U.) ; Santos, Samuel S M (Porto U.) ; Oliveira, Gonçalo N P (Porto U.) ; Leal, Tiago (Porto U.) ; Miranda, Ivan P (Sao Paulo U.) ; dos Santos, António M (ORNL, Oak Ridge (main)) ; Correia, João G (Lisbon, IST) ; Assali, Lucy V C (Sao Paulo U.) ; Petrilli, Helena M (Sao Paulo U.) ; Araújo, João P (Porto U.) et al.
The oxygen octahedral rotations in Ca$_2$MnO$_4$, the first member of the $\textrm{Ca O ( CaMnO}_3)_n$ Ruddlesden-Popper family, is probed through a set of complementary techniques, including temperature-dependent neutron and x-ray diffraction, combined with local probe studies and ab initio calculations. Here we demonstrate the enhancement of the uniaxial negative thermal expansion coefficient from $-1.26 \pm 0.25$ to $-21 \pm 1.8$ ppm/K at the second order $I4_1/acd$ to $I4/mmm$ structural phase transition, providing direct evidence for the corkscrew atomic mechanism. [...]
2020 - 9 p. - Published in : Phys. Rev. B 102 (2020) 104115

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