Publicaciones en las que colabora con Miguel Alvarez Blanco (21)

2002

  1. First-principles study of the rocksalt-cesium chloride relative phase stability in alkali halides

    Physical Review B - Condensed Matter and Materials Physics, Vol. 66, Núm. 14, pp. 1-8

  2. First-principles study of the rocksalt-cesium chloride relative phase stability in alkali halides

    Physical Review B - Condensed Matter and Materials Physics, Vol. 66, Núm. 14, pp. 1441121-1441128

  3. Microscopic study of the rock salt-caesium chloride phase stability in alkali halides

    High Pressure Research, Vol. 22, Núm. 2, pp. 443-446

  4. Role of polarization effects in the prediction of an orthorhombic high-pressure phase in NaBr

    High Pressure Research, Vol. 22, Núm. 2, pp. 439-442

2001

  1. Practical embedding for ionic materials: Crystal-adapted pseudopotentials for the MgO crystal

    Physical Review B - Condensed Matter and Materials Physics, Vol. 64, Núm. 10

  2. 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

2000

  1. First Principles Study of Polyatomic Clusters of AlN, GaN, and InN. 1. Structure, Stability, Vibrations, and Ionization

    Journal of Physical Chemistry B, Vol. 104, Núm. 18, pp. 4361-4367

  2. First Principles Study of Polyatomic Clusters of AlN, GaN, and InN. 2. Chemical Bonding

    Journal of Physical Chemistry B, Vol. 104, Núm. 18, pp. 4368-4374

  3. Local compressibilities in crystals

    Physical Review B - Condensed Matter and Materials Physics, Vol. 62, Núm. 21, pp. 13970-13978

  4. Theoretical characterization of the high-pressure phases

    Physical Review B - Condensed Matter and Materials Physics, Vol. 61, Núm. 17, pp. 11359-11362

  5. Transition path for the B3⇌B1 phase transformation in semiconductors

    Physical Review B - Condensed Matter and Materials Physics, Vol. 62, Núm. 16, pp. R10599-R10602

1999

  1. Strategies for determining and using ab initio interionic potentials

    Radiation Effects and Defects in Solids, Vol. 151, Núm. 1, pp. 223-228

1998

  1. Compressibility of the high-pressure rocksalt phase of ZnO

    Physical Review B - Condensed Matter and Materials Physics, Vol. 58, Núm. 14, pp. 8949-8954

  2. Quantum-mechanical study of thermodynamic and bonding properties of MgF2

    Journal of Physical Chemistry A, Vol. 102, Núm. 9, pp. 1595-1601

1996

  1. Atomistic simulation of the pressure-temperature-volume diagram in α-Al2O3

    Solid State Communications, Vol. 98, Núm. 1, pp. 41-44

  2. Thermodynamical properties of solids from microscopic theory: Applications to MgF2 and Al2O3

    Journal of Molecular Structure: THEOCHEM, Vol. 368, Núm. 1-3 SPEC. ISS., pp. 245-255

1995

  1. Derivation of electron-gas interatomic potentials from quantum-mechanical descriptions of ions in crystals

    Physical Review B, Vol. 51, Núm. 5, pp. 2703-2714

  2. Effects of a quantum crystal potential on the derivation of electron gas interionic energies

    Radiation Effects and Defects in Solids, Vol. 134, Núm. 1-4, pp. 197-200

  3. Modeling the O2 - O2- interaction for atomistic simulations

    Physical Review B, Vol. 51, Núm. 17, pp. 11289-11295

  4. Stability of b1 and b2 phases from electronic density topology considerations

    Radiation Effects and Defects in Solids, Vol. 134, Núm. 1-4, pp. 201-203