João Nuno Santos Gonçalves

Investigador Júnior

Short CV

2006 - Physics Degree, Universidade de Aveiro
2007 - MSc Physics Engineering, Universidade de Aveiro
2011 - PhD, Universidade de Aveiro
2012 to 2018 - Post-doctoral researcher

2019 to present - Researcher 

Selecção de Publicações

"Chirality and Magnetocaloricity in GdFeTeO6 as Compared to GdGaTeO6", Elena Zvereva; Tatyana Vasilchikova; Maria Evstigneeva; Angelica Tyureva; Vladimir Nalbandyan; João Gonçalves; Paolo Barone; Alessandro Stroppa; Alexander Vasiliev, Materials, 14(20), 5954 (2021). DOI: 10.3390/ma14205954

"First-Principles Study of Structure and Magnetism in Copper(II)-Containing Hybrid Perovskites", João N. Gonçalves; Anthony E. Phillips; Wei Li; Alessandro Stroppa, Crystals 10(12), 1129 (2020). DOI:10.3390/cryst10121129

"Hg adatoms on graphene: A first-principles study", A. S. Fenta, C. O. Amorim, J. N. Gonçalves. N. Fortunato, M. B. Barbosa, J. P. Araújo, M. Houssa, S. Cottenier, M. J. Van Bael, J. G. Correia, V. S. Amaral, L. M. C. Pereira, Journal of Physics: Materials 4, 015002 (2020). DOI: 10.1088/2515-7639/abc31c

"Volume dependence of magnetic properties in Co2Cr1−xYxGa (Y=Ti-Ni) Heusler alloys: A first-principles study", J. N. Gonçalves, N. M. Fortunato, J. S. Amaral, V. S. Amaral, Journal of Magnetism and Magnetic Materials 428 362 (2017). DOI: 10.1016%2Fj.jmmm.2016.12.102

"Magnetovolume Effects in Heusler Compounds via First-Principles Calculations", J. N. Gonçalves, J. S. Amaral, V. S. Amaral, IEEE Transactions on Magnetics 50 1301104 (2014). DOI: 10.1109/TMAG.2014.2326892

"Hyperfine local probe study of alkaline-earth manganites SrMnO3 and BaMnO3", J. N. Gonçalves, V. S. Amaral, J. G. Correia, A. M. L. Lopes, J. P. Araújo, P. B. Tavares, Journal of Physics: Condens. Matter 26 215401 (2014). DOI: 10.1088/0953-8984/26/21/215401

"Ab initio study of the relation between electric polarization and electric field gradients in ferroelectrics", J. N. Gonçalves, A. Stroppa, J. G. Correia, T. Butz, S. Picozzi, A. S. Fenta, V. S. Amaral, Physical Review B 86 035145 (2012). DOI: 10.1103/PhysRevB.86.035145

"Hyperfine interactions in MnAs studied by perturbed angular correlations of γ-rays using the probe Br77→ Se77 and first-principles calculations for MnAs and other Mn pnictides", J. N. Gonçalves, V. S. Amaral, J. G. Correia, A. M. L. Lopes, Physical Review B 83, 104421 (2011). DOI: 10.1103/PhysRevB.83.104421

Interesses científicos

Magnetic materials, ferroelectrics, and multiferroics, other functional materials, Heusler compounds, graphene, oxides, oxide surfaces. Density functional theory calculations. Local probe experimental methods such as perturbed angular correlation spectroscopy and complementary calculations. Electric field gradients, hyperfine fields, and their relation to other properties. Magnetovolume effects.

Supervisões em Curso

Publicações

Experimental and Theoretical Study of Electronic and Hyperfine Properties of Hydrogenated Anatase (TiO2): Defect Interplay and Thermal Stability

Zyabkin, DV; Gunnlaugsson, HP; Goncalves, JN; Bharuth-Ram, K; Qi, B; Unzueta, I; Naidoo, D; Mantovan, R; Masenda, H; Olafsson, S; Peters, G; Schell, J; Vetter, U; Dimitrova, A; Krischok, S; Schaaf, P
2020, JOURNAL OF PHYSICAL CHEMISTRY C, 124, 13, 7511-7522.
ISBN: 1932-7455

Exploiting Radioactive Isotopes: from Pollutant Tracking to Solid State Studies Using a Combined Ab Initio and PAC Approach

Amorim, CO; Goncalves, JN; Amaral, VS
2020, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2020, 19, 1822-1833.
ISBN: 1099-0682

In-Silico Thermodynamic Description of Heusler Compounds Applied to Magnetocalorics by Monte Carlo Simulations Starting from Ab-Initio

Amorim, CO; Goncalves, JN; Amaral, VS; Amaral, JS
2020, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2020, 14, 1271-1277.
ISBN: 1099-0682

Changing the magnetic states of an Fe/BaTiO(3)interface through crystal field effects controlled by strain

Amorim, CO; Goncalves, JN; Amaral, JS; Amaral, VS
2020, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22, 32, 18050-18059.
ISBN: 1463-9084

Two-dimensional metal dicyanamide frameworks of BeTriMe[M(dca)(3)(H2O)] (BeTriMe = benzyltrimethylammonium; dca = dicyanamide; M = Mn2+, Co2+, Ni2+): coexistence of polar and magnetic orders and nonlinear optical threshold temperature sensing

Maczka, M; Gagor, A; Stroppa, A; Goncalves, JN; Zareba, JK; Stefanska, D; Pikul, A; Drozd, M; Sieradzki, A
2020, JOURNAL OF MATERIALS CHEMISTRY C, 8, 34, 11735-11747.
ISBN: 2050-7534

Experimental and theoretical evidences that atomic disorder suppresses half-metallicity of Heusler compounds

Caraballo-Vivas, RJ; Tedesco, JCG; Checca, NR; Fortunato, NM; Goncalves, JN; Sanchez, DR; Carvalho, AMG; Amaral, JS; Reis, MS
2019, INTERMETALLICS, 111.
ISBN: 1879-0216

Electric Field Induced Room Temperature Null to High Spin State Switching: A Computational Prediction

Amorim, CO; Amaral, JS; Goncalves, JN; Amaral, VS
2019, ADVANCED THEORY AND SIMULATIONS, 2, 4.
ISBN: 2513-0390

Hyperfine interactions and diffusion of Cd in TiO2 (rutile)

Zyabkin, DV; Schell, J; Gaertner, D; Dang, TT; Goncalves, JN; Marschick, G; Schaaf, P
2019, JOURNAL OF APPLIED PHYSICS, 126, 1.
ISBN: 1089-7550

Thermal annealing effects in polycrystalline EuTiO3 and Eu2Ti2O7

Schell, J; Kamba, S; Kachlik, M; Maca, K; Drahokoupil, J; Rano, BR; Goncalves, JN; Dang, TT; Costa, A; Noll, C; Vianden, R; Lupascu, DC
2019, AIP ADVANCES, 9, 12.
ISBN: 2158-3226

Ultra sensitive quantification of Hg2+ sorption by functionalized nanoparticles using radioactive tracker spectroscopy

Amorim, CO; Goncalves, JN; Tavares, DS; Fenta, AS; Lopes, CB; Pereira, E; Trindade, T; Correia, JG; Amaral, VS
2018, MICROCHEMICAL JOURNAL, 138, 418-423.

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