Publicaciones en las que colabora con JOSE MANUEL RECIO MUÑIZ (24)

2024

  1. Atomic contributions to ZnO mechanical properties at negative and positive pressures

    Results in Physics, Vol. 60

2023

  1. Preference for a pressure-induced 3D structure after 1T-HfSe2

    Materials Today Physics, Vol. 36

2022

  1. Pressure and temperature stability boundaries of cubic SiC polymorphs: a first-principles investigation

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 26, pp. 16228-16236

2021

  1. Pressure-Driven Metallization in Hafnium Diselenide

    Inorganic Chemistry, Vol. 60, Núm. 3, pp. 1746-1754

2020

  1. Disclosing the behavior under hydrostatic pressure of rhombohedral MgIn2Se4by means of first-principles calculations

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 38, pp. 21909-21918

2019

  1. Computational modeling of tensile stress effects on the structure and stability of prototypical covalent and layered materials

    Nanomaterials, Vol. 9, Núm. 10

2017

  1. Hysteresis and bonding reconstruction in the pressure-induced B3-B1 phase transition of 3C-SiC

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 34, pp. 22887-22894

2016

  1. Computer simulations of 3C-SiC under hydrostatic and non-hydrostatic stresses

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 11, pp. 8132-8139

2014

  1. Microscopic partition of pressure and elastic constants in CdTe polymorphs

    Journal of Alloys and Compounds, Vol. 592, pp. 150-156

2009

  1. Theoretical investigation of the inversion parameter in Co3 - sAlsO4 (s = 0-3) spinel structures

    Solid State Ionics, Vol. 180, Núm. 14-16, pp. 1011-1016

2008

  1. Cation distributions on CoAl2O4 and Co 2AlO4 spinels: Pressure and temperature effects

    High Pressure Research

2006

  1. Periodic DFT study of the structural and electronic properties of bulk CoAl2O4 spinel

    Journal of Physical Chemistry B, Vol. 110, Núm. 2, pp. 988-995

2003

  1. Theoretical compressibilities of high-pressure ZnTe polymorphs

    Physical Review B - Condensed Matter and Materials Physics, Vol. 68, Núm. 19

2002

  1. Quantum-mechanical simulation of (formula presented) under high pressure

    Physical Review B - Condensed Matter and Materials Physics, Vol. 66, Núm. 22, pp. 1-7

  2. Quantum-mechanical simulation of MgAl2O4 under high pressure

    Physical Review B - Condensed Matter and Materials Physics, Vol. 66, Núm. 22, pp. 2241141-2241147

  3. Stability of MgAl2O4 under high-pressure conditions

    High Pressure Research, Vol. 22, Núm. 2, pp. 447-450

2001

  1. Ab initio calculations of pressure-induced polymorphism in ZnTe.

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  2. Ab initio perturbed ion description of equation of state, phase transition, and reactivity in the alpha-Al2O3.

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  3. Microscopic analysis of the compressibility in the spinel phase of Si3N4

    Europhysics Letters, Vol. 54, Núm. 6, pp. 760-766

  4. Theoretical explanation of the uniform compressibility behavior observed in oxide spinels

    Physical Review B - Condensed Matter and Materials Physics, Vol. 63, Núm. 18, pp. 1841011-1841017