Multifunctional Materials
This group gathers researchers working on topics of hard condensed matter physics dealing with electrical, optical and magnetic properties of matter in several forms, from atomic clusters and isolated molecules to crystalline solids. It combines a good balance between theory, computational and experimental skills, potentiating synergies between such approaches to tackle a number of problems of current interest in condensed matter physics. A number of experimental techniques are available in-house for sample preparation and characterization (XRD, PAC, Mossbauer spectroscopy, positron annihilation, SEM, transport properties, specific heat, magnetometry, etc.). This group is a frequent user of large-scale facilities (ILL, ISIS, ESRF, PSI, TRIUMF) for neutron-scattering, synchrotron radiation and muSR work. Topics currently being investigated include: multiferroic compounds, topological insulators, novel superconduting materials, exotic 4f and 5f compounds (heavy-fermion, multi-k), low-dimensional molecular magnets, high-k oxides and semiconductors, new efficient materials for non-linear optics, and explaining the mechanisms of colour emission in chromophore molecules of biological systems from TDDFT ab-initio calculations.
Current projects
Previous projects
Recent Publications
Papers
International Journals
1 - Graph-Based Strategies for Optimizing Wildfire Supression
J. Aveiro, D. Neves, Paulo J. Silva, A. Gameiro Lopes, C. Viegas, O. Oliveira, F. Nogueira, Jaime Oliveira da Silva
J. Phys.: Complex. 7(1), 015002 (2026)
2 - CrFe2Ge2: Investigation of novel ferromagnetic material of -type crystal structure
P.L.S. Cambalame, B.J.C. Vieira, J.C. Waerenborgh, P.S.P. da Silva, J.A. Paixão
J. Magn. Magn. Mater. 639, 173745 (2026)
3 - Neutron diffraction study of B-site disordered Bi0.5Ca0.5Fe0.5Mn0.5O3
V.A. Khomchenko
Mater. Lett. 404, 139614 (2026)
4 - Variation of the general mixing rule to explore the interphase in the AC electrical conductivity of polypropylene melt-mixed with as-grown carbon nanofiber composites
N. Aribou, A.J. Paleo, Jaime Silva, C.J. Tavares, M.E. Achour
Phys. B Condens. Matter. 714, 417420 (2025)
5 - Synthesis, Structural, and Mechanical Properties of Alumina–Yttria-Stabilized Zirconia Nanocomposites for Prospective Dental Ceramics
BFO. Costa, L. Durães, E. da Silva, I. Costa, V.A. Khomchenko, R. Vezo, A. Ramalho
Adv. Eng. Mater. 27(6), 2401843 (2025)
6 - The maximum Tc of conventional superconductors at ambient pressure
Kun Gao, Tiago F.T. Cerqueira, Antonio Sanna, Yue-Wen Fang, Đorđe Dangić, Ion Errea, Hai-Chen Wang, Silvana Botti, Miguel A.L. Marques
Nat. Commun. 16(1), 8253 (2025)
7 - Enhanced Superconductivity in X4H15 Compounds via Hole-Doping at Ambient Pressure
Kun Gao, Wenwen Cui, Tiago F.T. Cerqueira, Hai-Chen Wang, Silvana Botti, Miguel A.L. Marques
Adv. Sci. (2025)
8 - Structural evolution and magnetic behavior of Ba- and Mn-substituted BiFeO3: Impurity-driven artifacts and intrinsic limitations
M. Das, B. F. O. Costa, J. A. Paixão, V. A. Khomchenko
J. Mater. Sci.: Mater. Electron. 36(33), 2129 (2025)
9 - Intrinsic defect model of paratellurite (α-TeO2) based on the charge neutrality condition and density-functional calculations
Marinopoulos, A.G.
J. Phys. Condens. Matter 37(49), 495501 (2025)
10 - Ab initio computational study of hydration thermodynamics in cubic yttria-stabilized zirconia
Marinopoulos, A.G.
Model. Simul. Mater. Sci. Eng. 33(2), 025002 (2025)
11 - Exploring the interaction of high-performance triazine-based porous organic polymers with antibiotics and carbon dioxide
P.M.C Matias, S.C.C. Nunes, J.M. Gil, M.J. Ferreira, A.A.C.C. Pais, D. Murtinho, A.J.M. Valente
Chem. Eng. J. 526, 171078 (2025)
12 - High-throughput study of kagome compounds in the AV3Sb5 family
Thalis H.B. da Silva, Tiago F.T. Cerqueira, Hai-Chen Wang, Miguel A.L. Marques
Digit. Discov. 4, 2431-2438 (2025)
13 - Composition-, temperature-, and field- driven magnetic phase transitions in Bi0.9Ca0.1Fe1-xMnxO3 multiferroics
V. A. Khomchenko, M. Das, J. A. Paixão
J. Magn. Magn. Mater. 614, 172703 (2025)
14 - Complex magnetic behavior in the antipolar phase of Bi1-xLaxFe1-xMnxO3
V.A. Khomchenko, J.A. Paixão
Mater. Lett. 398, 138995 (2025)
15 - Muonium reaction in MgO: A showcase for the final steps of ion implantation
R.C. Vilao, A. Roonkiani, A.G. Marinopoulos, H.V. Alberto, J.M. Gil, R.B.L. Vieira, R. Scheuermann, A. Weidinger
SciPost Phys. Core. 8(3), 056 (2025)
16 - In-Architecture X-ray Assisted C–Br Dissociation for On-Surface Fabrication of Nanodiamond Chains
Yan Wang, Niklas Grabicki, Hibiki Orio, José D Cojal González, Juan Li, Jie Gao, Xiaoxi Zhang, Tiago F.T. Cerqueira, Miguel A.L. Marques, Zhaotan Jiang, Friedrich Reinert, Oliver Dumele, Carlos-Andres Palma
ACS Appl. Nano Mater. 8(38), 18469-18478 (2025)
17 - Broadband near-infrared long persistent luminescence in Cr3+-Doped CaY2Ga4GeO12 phosphors for advanced light source applications
Y. Zhang, Y. Ba, J.L. Wang, J.Y. Xu, J.Z. Xiao, Y.Z. Fang
Ceram. Int. 51(19) B, 29645-29654 (2025)
18 - Dual-emitting Mn4+-doped Tb3Al5O12 garnet phosphor for high-sensitive , self-referenced optical thermometry
Y. Zhang, MY Li, KK Luo, JL Wang, JZ Xiao, WW Zhou, YZ Fang
J. Lumin. 288, 121516 (2025)
19 - Machine-learning accelerated prediction of two-dimensional conventional superconductors
T.H.B. da Silva, T. Cavignac, TFT Cerqueira, H.C. Wang, M.A.L. Marques
Mater. Horiz. 12(10), 3408-3419 (2025)
20 - Ambient pressure high temperature superconductivity in RbPH3 facilitated by ionic anharmonicity
Đorđe Dangić, Yue-Wen Fang, Tiago F.T. Cerqueira, Antonio Sanna, Trinidad Novoa, Hao Gao, Miguel A.L. Marques, Ion Errea
Computational Materials Today 8, 100043 (2025)
