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CERN Document Server 2 εγγραφές βρέθηκαν  Η έρευνα πήρε 0.73 δευτερόλεπτα. 
1.
Group Theory Analysis to Study Phase Transitions of Quasi-2D Sr3Hf2O7 / 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 abinitio 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 Sr3Hf2O7 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;
2.
Ca2MnO4 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 Ca2MnO4, the first member of the Ca O ( CaMnO3)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±0.25 to 21±1.8 ppm/K at the second order I41/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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