Publications in collaboration with researchers from Donostia International Physics Center (68)

2026

  1. Expanded Heisenberg Hamiltonians from a Mn/Bi DFT+U study on hexagonal antiferromagnet CaMn2Bi2: excitations and strain-controlled magnetic anisotropy switching

    Scientific reports, Vol. 16, Núm. 1

  2. Selective Optical Properties of Cement for Enhanced Radiative Cooling and Energy-Efficient Construction Materials

    Energy and Environmental Materials

  3. Size-dependent photonic and radiative properties of CaO, SiO2, Al2[jls-end-space/]O3 and Fe2[jls-end-space/]O3 cementitious oxides

    Cement and Concrete Research, Vol. 203

2025

  1. Cl−, Na+ and Mg2+ Adsorption and Electronic Properties on 2-Octyl Acrylate and Isobornyl Acrylate Monomers: A Comprehensive DFT Study

    Polymers, Vol. 17, Núm. 6

  2. Design of improved thermoelectric and thermal energy storage properties of katoite, the stable hydration product of calcium aluminate cement

    Materials and Design, Vol. 258

  3. GRANAD - Simulating GRAphene nanoflakes with ADatoms

    Computer Physics Communications, Vol. 317

  4. Light-Induced Reorientation Transition in an Antiferromagnetic Semiconductor

    Physical Review X, Vol. 15, Núm. 1

  5. Long-lived zone-boundary magnons in an antiferromagnet

    Nature Communications , Vol. 16, Núm. 1

  6. Momentum-locked spin between topological and defect states in 1D patterns on bilayer graphene

    Scientific Reports, Vol. 15, Núm. 1

  7. Nickel Doping Unlocks Ambient-Condition Photostability in Individual Cesium Lead Bromide Perovskite Quantum Dots

    Nano letters, Vol. 25, Núm. 47, pp. 16630-16636

  8. Optical and excitonic properties of calcite CaCO3

    Journal of Materials Chemistry C

  9. Optical and excitonic properties of calcite CaCO3

    Journal of Materials Chemistry C, Vol. 13, Núm. 12, pp. 6267-6276

  10. Optical properties of CaO, SiO2, Al2O3 and Fe2O3 cementitious oxides

    Materials and Design, Vol. 260

  11. Optimizing Hubbard U parameters for enhanced description of electronic and magnetic properties in CrI3 monolayers and bilayers

    Scientific Reports, Vol. 15, Núm. 1

2024

  1. Low density phases of TiO2 by cluster self-assembly

    Scientific Reports, Vol. 14, Núm. 1

  2. Radiative Cooling Properties of Portlandite and Tobermorite: Two Cementitious Minerals of Great Relevance in Concrete Science and Technology

    ACS Applied Optical Materials, Vol. 2, Núm. 6, pp. 1000-1009

  3. Refractory and thermoelectric properties of stabilized Tricalcium aluminate allotrope: A first-principles calculation approach

    Materials Today Communications, Vol. 39

  4. Single-particle approach to many-body relaxation dynamics

    Physical Review A, Vol. 109, Núm. 2

  5. Thermoelectric properties of the main species present in Portland cement pastes

    Cement and Concrete Research, Vol. 183

2023

  1. Dimerization Effects and Negative Strain Energy in Silicon Monosulfide Nanotubes

    Nanomaterials, Vol. 13, Núm. 23