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Microscopic insight by nuclear hyperfine methods on ferroic Perovskites
/ Lopes, A M L ; Schell, J H ; Carbonari, A W ; Amaral, V S ; Araujo, J P ; Lupascu, D C ; Dang, T T ; Yap, I C J ; Burimova, A ; Correia, J G et al.
CERN-INTC-2023-045 ; INTC-CLL-054.
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2023.
Fulltext - Original Document (INTC-P-663)
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2.
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Oxide and Metal Halide Perovskites: Temperature-Dependent Dynamic Nature of Crystal Structure and Symmetry Relations
/ Rivaldo-Gomez, C M (Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil) ; Rocha-Rodrigues, P (Institute of Physics for Advanced Materials, Nanotechnology, and Photonics (IFIMUP), Porto, Portugal) ; Carbonari, A W (Instituto de Pesquisas Energeticas e Nucleares (IPEN), Sao Paulo, Brazil) ; Cabrera-Pasca, G A (Universidade Federal do Para, Faculdade Ciencias Exatas e Tecnologia, Para, Brazil) ; Burimova, A (Instituto de Pesquisas Energeticas e Nucleares (IPEN), Sao Paulo, Brazil) ; Schell, J (EP Department, ISOLDE-CERN, Geneva, Switzerland and Institute for Materials Science and Center for Nanointegration Duisburg-Essen (CENIDE), University of Duisburg-Essen, Essen, Germany) ; Lopes, A M L (Institute of Physics for Advanced Materials, Nanotechnology, and Photonics (IFIMUP), Porto, Portugal) ; Araújo, J P (Institute of Physics for Advanced Materials, Nanotechnology, and Photonics (IFIMUP), Porto, Portugal) ; Prasannan, N L (Institute of Physics for Advanced Materials, Nanotechnology, and Photonics (IFIMUP), Porto, Portugal) ; Oliveira, G N P (Institute of Physics for Advanced Materials, Nanotechnology, and Photonics (IFIMUP), Porto, Portugal) et al.
CERN-INTC-2023-018 ; INTC-P-658.
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2023.
Fulltext
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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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5.
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Ca$_3$Mn$_2$O$_7$
structural path unraveled by atomic-scale properties: A combined experimental and
ab initio
study
/ Rocha-Rodrigues, P (Porto U.) ; Santos, S S M (Porto U.) ; Miranda, I P (Sao Paulo U.) ; Oliveira, G N P (Porto U.) ; Correia, J G (Lisbon, IST) ; Assali, L V C (Sao Paulo U.) ; Petrilli, H M (Sao Paulo U.) ; Araújo, J P (Porto U.) ; Lopes, A M L (Porto U.)
The structural phase transition path from the low-temperature polar structure up to the highest symmetric phase in the hybrid improper ferroelectric Ca$_3$Mn$_2$O$_7$ compound is here investigated at atomic scale. Measurements using the perturbed angular correlation local probe technique are combined with ab initio electronic structure calculations to observe the evolution of the electric field gradient parameters at the Ca site within the 10–1200 K temperature range. [...]
2020 - 10 p.
- Published in : Phys. Rev. B 101 (2020) 064103
Fulltext from publisher: 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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Local Probing Of Ferroic And Multiferroic Compounds
/ Lopes, A M L (IFIMUP-IN, Fac. Ciências, Univ. Porto, P-4150 Porto, Portugal) ; Schell, Juliana (Institute for Materials Science and Center for Nanointegration, Duisburg-Essen (CENIDE), University of Duisburg-Essen) ; Amaral, V S (Dep. Physics and CICECO, Univ. Aveiro, P-3810-193 Aveiro, Portugal) ; Amorim, C O (Dep. Physics and CICECO, Univ. Aveiro, P-3810-193 Aveiro, Portugal) ; Araújo, J P (IFIMUP, Fac. Ciências, Univ. Porto, P-4150 Porto, Portugal) ; Baghizadeh, A (Dep. Mat & Cer. Eng. and CICECO, Univ. Aveiro, P-3810-193 Aveiro, Portugal) ; Baptista, M (IFIMUP, Fac. Ciências, Univ. Porto, P-4150 Porto, Portugal) ; Becker, Hans-Werner (Ruhr-Universität Bochum, RUBION, Universitätsstr. 150, D-44801 Bochum) ; Correia, J G (C2TN, Centro de Ciências e Tecnologias Nucleares, Instituto Superior Técnico, Universidade de Lisboa, Portugal) ; Escobar Castillo, M (Institute for Materials Science and Center for Nanointegration, Duisburg-Essen (CENIDE), University of Duisburg-Essen, 45141 Essen, Germany) et al.
CERN-INTC-2017-074 ; INTC-CLL-034.
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2017.
Fulltext
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