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1.
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Magnetoelectric Decoupling in Bismuth Ferrite
/ Dang, Thien Thanh (Duisburg-Essen U.) ; Heiniger-Schell, Juliana (Duisburg-Essen U. ; CERN) ; Dubey, Astita (Duisburg-Essen U. ; Tennessee U.) ; Gonçalves, João Nuno (Aveiro U.) ; Castillo, Marianela Escobar (Duisburg-Essen U.) ; Lewin, Daniil (Duisburg-Essen U.) ; Yap, Ian Chang Jie (Duisburg-Essen U.) ; Gerami, Adeleh Mokhles (IPM, Tehran) ; Fathabad, Sobhan Mohammadi (Duisburg-Essen U.) ; Zyabkin, Dmitry (Ilmenau Tech. U.) et al.
It is still an open question if magnetoelectric coupling occurs at the atomic scale in multiferroic BiFeO3. Nuclear solid-state techniques monitor local fields at the atomic scale. [...]
2025 - 9 p.
- Published in : Phys. Rev. Lett. 134 (2025) 216702
Fulltext: Published version - PDF; PhysRevLett.134.216702 - XML;
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Hg sorption by Fe$_3$O$_4$/SiO$_2$ core-shell nanoparticles functionalized with dithiocarbamate: Determining Hg coordination with a combined experimental and ab-initio approach
/ Amorim, C O (Aveiro U.) ; Fortunato, N M (Aveiro U.) ; Fenta, A S (Aveiro U. ; CERN) ; Gonçalves, J N (Aveiro U.) ; Tavares, D S (Aveiro U.) ; Lopes, C B (Aveiro U.) ; Trindade, T (Aveiro U.) ; Correia, J G (CERN ; ITN, Lisbon) ; Amaral, V S (Aveiro U.)
Nanoparticles functionalized with dithiocarbamate groups are well known for their high uptake efficiency of Hg(II) from water but where and how Hg coordinates is still an open question. In the present work, Perturbed Angular Correlations spectroscopy was combined with Density Functional Theory modelling to answer that question. [...]
2025 - 8 p.
- Published in : Solid State Commun. 397 (2025) 115829
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3.
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Anisotropy of the Electric Field Gradient in Two-Dimensional α-MoO$_3$ Investigated by $^{57}$Mn($^{57}$Fe) Emission Mössbauer Spectroscopy
/ Schell, Juliana (CERN ; Duisburg-Essen U.) ; Zyabkin, Dmitry (Ilmenau Tech. U.) ; Bharuth-Ram, Krish (KwaZulu Natal U.) ; Gonçalves, João N (Aveiro U.) ; Díaz-Guerra, Carlos (Madrid U.) ; Gunnlaugsson, Haraldur P (Iceland U.) ; Martín-Luengo, Aitana Tarazaga (Linz U.) ; Schaaf, Peter (Ilmenau Tech. U.) ; Bonanni, Alberta (Linz U.) ; Masenda, Hilary (Witwatersrand U. ; Philipps U. Marburg) et al.
Van der Waals α-MoO3 samples offer a wide range of attractive catalytic, electronic, and optical properties. We present herein an emission Mössbauer spectroscopy (eMS) study of the electric-field gradient (EFG) anisotropy in crystalline free-standing α-MoO3 samples. [...]
2022 - 13 p.
- Published in : Crystals 12 (2022) 942
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4.
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Hg adatoms on graphene: A first-principles study
/ Fenta, A S (CERN) ; Amorim, C O (Aveiro U.) ; Gonçalves, J N (Aveiro U.) ; Fortunato, N (Aveiro U.) ; Barbosa, M B (Porto U.) ; Araujo, J P (Leuven U.) ; Houssa, M (U. Gent (main)) ; Cottenier, S (U. Gent (main)) ; Van Bael, M J (Leuven U.) ; Correia, J G (CERN) et al.
The interest in understanding the interaction between graphene and atoms that are adsorbed on its
surface (adatoms) spans a wide range of research fields and applications, for example, to
controllably change the properties of graphene in electronic devices or to detect those changes in
graphene-based sensors. We present a density functional theory study of the interaction between
graphene and Hg adatoms. [...]
2020 - 10 p.
- Published in : J. Phys. Mater. 4 (2020) 015002
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5.
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Strong magnetoelectric coupling at an atomic nonmagnetic electromagnetic probe in bismuth ferrite
/ Schell, Juliana (CERN ; Duisburg-Essen U.) ; Schmuck, Merlin (Duisburg-Essen U.) ; Efe, İpek (Zurich, ETH) ; Dang, Thien Thanh (Duisburg-Essen U.) ; Gonçalves, João Nuno (Aveiro U.) ; Lewin, Daniil (Duisburg-Essen U.) ; Castillo, Marianela Escobar (Duisburg-Essen U.) ; Shvartsman, Vladimir V (Duisburg-Essen U.) ; Costa, Ângelo Rafael Granadeiro (CERN ; Lisbon, IST) ; Köster, Ulli (Laue-Langevin Inst.) et al.
Isolated nonmagnetic substitutional defect ions experience huge coupled electric magnetic interaction in the single-phase multiferroic BiFeO$_{3}$. In the ferroelectric state above the magnetic Néel temperature $T$$_{N}$, the electric environment generates a single symmetric electric field gradient (EFG) parallel to the electric polarization direction. [...]
2022 - 13 p.
- Published in : Phys. Rev. B 105 (2022) 094102
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6.
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The electric field gradient as a signature of the binding and the local structure of adatoms on graphene
/ Fenta, A S (Leuven U. ; Aveiro U. ; CERN) ; Amorim, C O (Aveiro U.) ; Gonçalves, J N (Aveiro U.) ; Fortunato, N (Aveiro U.) ; Barbosa, M B (Porto U. ; Singapore Natl. U.) ; Cottenier, S (Gent U.) ; Correia, J G (CERN ; Lisbon, IST) ; Pereira, L M C (Leuven U.) ; Amaral, V S (Aveiro U.)
We examined the interaction between adatoms and graphene for Ag, Cd, In and Hg by density functional theory. We establish a relation between the binding energy and the electric-field gradient tensor (EFG) for each atom, which indicates that hyperfine interactions can be used to probe the binding and stability of adatoms on graphene. [...]
2021
- Published in : Appl. Phys. A 127 (2021) 573
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7.
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Experimental and Theoretical Study of Electronic and Hyperfine Properties of Hydrogenated Anatase (TiO2): Defect Interplay and Thermal Stability
/ Zyabkin, D V (Palacky U. ; Ilmenau Tech. U.) ; Gunnlaugsson, H P (Iceland U.) ; Gonçalves, J N (Aveiro U.) ; Bharuth-Ram, K (KwaZulu Natal U. ; DUT, Durban) ; Qi, B (Iceland U.) ; Unzueta, I (Basque U., Bilbao) ; Naidoo, D (Witwatersrand U.) ; Mantovan, R (CNR-IMM, Catania) ; Masenda, H (Witwatersrand U.) ; Ólafsson, S (Iceland U.) et al.
The performance of TiO$_2$-based materials is highly dependent on the electronic structure and local defect configurations. Hence, a thorough understanding of defect interaction plays a key role. [...]
2020 - 12 p.
- Published in : The Journal of Physical Chemistry C 124 (2020) 7511-7522
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8.
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Multiferroic bismuth ferrite: Perturbed angular correlation studies on its ferroic $\alpha$-$\beta$ phase transition
/ Marschick, G (Vienna, Tech. U. ; CERN) ; Schell, J (CERN ; U. Duisburg-Essen) ; Stöger, B (Vienna, Tech. U.) ; Gonçalves, J N (Aveiro U.) ; Karabasov, M O (U. Duisburg-Essen) ; Zyabkin, D (Ilmenau Tech. U.) ; Welker, A (CERN) ; Escobar C , M (U. Duisburg-Essen) ; Gärtner, D (Munster U.) ; Efe, I (Zurich, ETH) et al.
Work of numerous research groups has shown different outcomes of studies of the transition from the ferroelectric $\alpha$-phase to the high temperature $\beta$-phase of the multiferroic, magnetoelectric perovskite Bismuth Ferrite (BiFeO$_{3}$ or BFO). Using the perturbed angular correlation (PAC) method with $^{111m}$Cd as the probe nucleus, the $\alpha$ to $\beta$ phase transition was characterized. [...]
2020 - 11 p.
- Published in : Phys. Rev. B 102 (2020) 224110
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10.
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Ultra sensitive quantification of Hg$^{2+}$ sorption by functionalized nanoparticles using radioactive tracker spectroscopy
/ Amorim, Carlos O (Aveiro U. ; U. Aveiro (main)) ; Gonçalves, João N (Aveiro U.) ; Tavares, Daniela S (U. Aveiro (main)) ; Fenta, Abel S (Aveiro U. ; CERN ; Leuven U.) ; Lopes, Cláudia B (U. Aveiro (main) ; CIIMAR, Porto) ; Pereira, Eduarda (U. Aveiro (main)) ; Trindade, Tito (U. Aveiro (main)) ; Correia, João G (CERN ; IST, Lisbon (main)) ; Amaral, Vítor S (Aveiro U.)
/Isolde
We present an ultra sensitive method to quantify the uptake of Hg by dithiocarbamate functionalized magnetic nanoparticles using radioactive tracker spectroscopy. We show a lower limit of detection of about 10 fg L-1, much lower than any other known techniques used to determine the uptake of Hg (about 104 more sensitive), without the need of digesting or processing the sorption agent. [...]
2018 - 6 p.
- Published in : Microchem. J. 138 (2018) 418-423
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