LOURDES
GRACIA EDO
TITULAR D'UNIVERSITAT
Armando
Beltrán
Publications by the researcher in collaboration with Armando Beltrán (38)
2019
-
Polymorphs of ZnV 2 O 6 under Pressure: A First-Principle Investigation
Journal of Physical Chemistry C, Vol. 123, Núm. 5, pp. 3239-3253
2018
-
Experimental and Theoretical Study of Bi2O2Se under Compression
Journal of Physical Chemistry C, Vol. 122, Núm. 16, pp. 8853-8867
2017
-
First-Principles Study on Polymorphs of AgVO3: Assessing to Structural Stabilities and Pressure-Induced Transitions
Journal of Physical Chemistry C, Vol. 121, Núm. 49, pp. 27624-27642
2016
-
Chemical bonding under pressure
An Introduction to High-Pressure Science and Technology (CRC Press), pp. 131-157
2015
-
A Combined Experimental and Theoretical Study on the Formation of Ag Filaments on β-Ag2MoO4 Induced by Electron Irradiation
Particle and Particle Systems Characterization, Vol. 32, Núm. 6, pp. 646-651
2014
-
First-principles study of pressure-induced phase transitions and electronic properties of Ag2MoO4
Journal of Physical Chemistry C, Vol. 118, Núm. 7, pp. 3724-3732
-
Insight into the effects of fe addition on the local structure and electronic properties of SrTiO3
Journal of Physical Chemistry C, Vol. 118, Núm. 9, pp. 4930-4940
-
Prediction of dopant atom distribution on nanocrystals using thermodynamic arguments
Physical Chemistry Chemical Physics, Vol. 16, Núm. 3, pp. 1089-1094
2013
-
Quantum mechanical modeling of excited electronic states and their relationship to cathodoluminescence of BaZrO3
Journal of Applied Physics, Vol. 114, Núm. 4
-
Structural study of α-Bi2O3 under pressure
Journal of Physics Condensed Matter, Vol. 25, Núm. 47
2012
-
CaSO 4 and its pressure-induced phase transitions. A density functional theory study
Inorganic Chemistry, Vol. 51, Núm. 3, pp. 1751-1759
-
Electronic structure and magnetic properties of FeWO 4 nanocrystals synthesized by the microwave-hydrothermal method
Materials Characterization, Vol. 73, pp. 124-129
-
Structural and electronic effects of incorporating Mn in TiO 2 films grown by sputtering: Anatase versus Rutile
Journal of Physical Chemistry C, Vol. 116, Núm. 15, pp. 8753-8762
-
Structural and electronic properties of lithiated SnO 2. A periodic DFT study
Journal of Physical Chemistry C, Vol. 116, Núm. 30, pp. 16127-16137
-
Structural and vibrational study of cubic Sb 2O 3 under high pressure
Physical Review B - Condensed Matter and Materials Physics, Vol. 85, Núm. 17
-
Synthesis, optical and ferroelectric properties of PZT thin films: Experimental and theoretical investigation
Journal of Materials Chemistry, Vol. 22, Núm. 14, pp. 6587-6596
2011
-
A joint experimental and theoretical study on the nanomorphology of CaWO4 crystals
Journal of Physical Chemistry C, Vol. 115, Núm. 41, pp. 20113-20119
-
A theoretical study on the pressure-induced phase transitions in the inverse spinel structure Zn2SnO4
Journal of Physical Chemistry C, Vol. 115, Núm. 15, pp. 7740-7746
-
High-pressure study of the behavior of mineral barite by x-ray diffraction
Physical Review B - Condensed Matter and Materials Physics, Vol. 84, Núm. 5
-
Modelización del enlace químico y la reactividad química
Materia a alta presión: fundamentos y aplicaciones (Servicio de Publicaciones), pp. 109-138