Publicaciones en colaboración con investigadores/as de University College London (22)

2019

  1. Giant electrocaloric effect at the antiferroelectric-to-ferroelectric phase boundary in Pb(ZrxTi1-x)O3

    Applied Physics Letters, Vol. 115, Núm. 2

2018

  1. Low temperature ferroelectric behavior in morphotropic Pb (Zr1−xTix)O3

    Journal of the American Ceramic Society, Vol. 101, Núm. 2, pp. 874-882

2017

  1. Improving the Functional Control of Aged Ferroelectrics Using Insights from Atomistic Modeling

    Physical Review Letters, Vol. 119, Núm. 17

  2. Multiphase modelling of Pb(Zr1-xTix)O3 structure

    Ferroelectrics, Vol. 520, Núm. 1, pp. 9

  3. Novel high-temperature ferroelectric domain morphology in PbTiO3 ultrathin films

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 6, pp. 4243-4250

  4. Theoretical study of the structure of lead zirconate–titanate PbZr0.6Ti0.4O3

    Bulletin of the Russian Academy of Sciences: Physics, Vol. 81, Núm. 9, pp. 1075-1079

2016

  1. Modelling the structure of Zr-rich Pb(Zr1-: XTix)O3, x = 0.4 by a multiphase approach

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 40, pp. 28316-28324

2015

  1. Mechanisms of formation of chemical bonding and defect formation at the a-SiO2/BaTiO3 interfaces

    Journal of Physics Condensed Matter, Vol. 27, Núm. 47

  2. Shell Model force field for Lead Zirconate Titanate Pb(Zr1-xTix)O3

    Journal of Physical Chemistry C, Vol. 119, Núm. 31, pp. 17784-17789

2013

  1. Neutral and charged oxygen vacancies induce two-dimensional electron gas near SiO2/BaTiO3 interfaces

    Journal of Physical Chemistry Letters, Vol. 4, Núm. 2, pp. 333-337

2012

  1. Defect-mediated lattice relaxation and domain stability in ferroelectric oxides

    Physical Review Letters, Vol. 109, Núm. 11

2010

  1. The structure and decomposition chemistry of isomer defects in a crystalline DADNE

    Journal of Energetic Materials, Vol. 28, Núm. SUPPL. 1, pp. 128-139

2009

  1. Doubly positively charged oxygen vacancies in silica glass

    Journal of Non-Crystalline Solids, Vol. 355, Núm. 18-21, pp. 1103-1106

  2. Modeling proton transfer and polarons in a molecular crystal diamino-dinitroethylene

    Physical Review B - Condensed Matter and Materials Physics, Vol. 80, Núm. 13

  3. Modelling of electron and hole trapping in oxides

    Modelling and Simulation in Materials Science and Engineering, Vol. 17, Núm. 8

  4. Positive and negative oxygen vacancies in amorphous silica

    ECS Transactions

2008

  1. Effect of molecular and lattice structure on hydrogen transfer in molecular crystals of diamino-dinitroethylene and triamino-trinitrobenzene

    Journal of Physical Chemistry A, Vol. 112, Núm. 19, pp. 4496-4500

2007

  1. An effect of charged and excited states on decomposition of 1,1-diamino-2,2-dinitroethylene

    AIP Conference Proceedings

  2. Effect of charged and excited states on the decomposition of 1,1-diamino-2,2-dinitroethylene molecules

    Journal of Chemical Physics, Vol. 126, Núm. 23

  3. Structure and spectroscopic properties of trapped holes in silica

    Journal of Non-Crystalline Solids, Vol. 353, Núm. 5-7, pp. 599-604