Centro de fisica de materiales

2021

1. A local-orbital density functional formalism for a many-body atomic Hamiltonian: Hubbard-Hund's coupling and DFT + U functional

   Journal of Physics Condensed Matter, Vol. 33, Núm. 42

2. A novel vibrational spectroscopy using spintronic-plasmonic antennas: Magneto-refractive surface-enhanced infrared absorption

   Journal of Applied Physics, Vol. 129, Núm. 7

3. Absence of spillover of hydrogen adsorbed on small palladium clusters anchored to graphene vacancies

   Applied Surface Science, Vol. 559

4. Advances in the multi-orthogonal folding of single polymer chains into single-chain nanoparticles

   Polymers, Vol. 13, Núm. 2, pp. 1-17

5. All-optical generation of antiferromagnetic magnon currents via the magnon circular photogalvanic effect

   Physical Review B, Vol. 104, Núm. 10

6. An epilepsy-causing mutation leads to co-translational misfolding of the Kv7.2 channel

   BMC Biology, Vol. 19, Núm. 1

7. Anisotropic and High-Mobility C3S Monolayer as a Photocatalyst for Water Splitting

   Journal of Physical Chemistry Letters, Vol. 12, Núm. 34, pp. 8320-8327

8. Anomalous High-Temperature Superconductivity in YH6

   Advanced Materials, Vol. 33, Núm. 15

9. Approximations based on density-matrix embedding theory for density-functional theories

   Electronic Structure, Vol. 3, Núm. 3

10. Asymptotics of the metal-surface Kohn-Sham exact exchange potential revisited

    Physical Review B, Vol. 104, Núm. 15

11. Atomically-Precise Texturing of Hexagonal Boron Nitride Nanostripes

    Advanced Science, Vol. 8, Núm. 17

12. Ba with unusual oxidation states in Ba chalcogenides under pressure

    Journal of Physical Chemistry Letters, Vol. 12, Núm. 17, pp. 4203-4210

13. Band structure and energy level alignment of chiral graphene nanoribbons on silver surfaces

    Nanomaterials, Vol. 11, Núm. 12

14. Coherent coupling between vortex bound states and magnetic impurities in 2D layered superconductors

    Nature Communications, Vol. 12, Núm. 1

15. Collective motions and mechanical response of a bulk of single-chain nano-particles synthesized by click-chemistry

    Polymers, Vol. 13, Núm. 1, pp. 1-14

16. Common microscopic origin of the phase transitions in Ta2NiS5 and the excitonic insulator candidate Ta2NiSe5

    npj Computational Materials, Vol. 7, Núm. 1

17. Conditional Wave Function Theory: A Unified Treatment of Molecular Structure and Nonadiabatic Dynamics

    Journal of Chemical Theory and Computation, Vol. 17, Núm. 12, pp. 7321-7340

18. Crystallization process and site-selective excitation of nd3+ in laf3/nalaf4 sol–gel-synthesized transparent glass-ceramics

    Crystals, Vol. 11, Núm. 5

19. Cubic Hall viscosity in three-dimensional topological semimetals

    Physical Review Research, Vol. 3, Núm. 3

20. Disentangling self-atomic motions in polyisobutylene by molecular dynamics simulations

    Polymers, Vol. 13, Núm. 4, pp. 1-23