Publicaciones en las que colabora con VICTOR LUAÑA CABAL (27)

2002

  1. Rigorous characterization of oxygen vacancies in ionic oxides

    Physical Review B - Condensed Matter and Materials Physics, Vol. 66, Núm. 7, pp. 751031-751036

2001

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

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

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

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

2000

  1. Local compressibilities in crystals

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

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

1997

  1. Universal-binding-energy relations across the rock-salt-cesium chloride phase transition in alkali halides

    Physical Review B - Condensed Matter and Materials Physics, Vol. 56, Núm. 6, pp. 3010-3015

1995

  1. Energetics of the RbF + CaF2 ↠ RbCaF3 solid state reaction: A first-principles study

    Radiation Effects and Defects in Solids, Vol. 134, Núm. 1-4, pp. 193-196

  2. Theoretical study of the coordination of the cr3+ ion in α-Al2O3

    Radiation Effects and Defects in Solids, Vol. 134, Núm. 1-4, pp. 123-126

1994

  1. Pressure-induced B1-B2 phase transition in alkali halides: General aspects from first-principles calculations

    Physical Review B, Vol. 49, Núm. 5, pp. 3066-3074

  2. Static simulations of CaF2 polymorphs

    Physical Review B, Vol. 49, Núm. 9, pp. 5858-5868

1993

  1. Low- and high-pressure ab initio equations of state for the alkali chlorides

    Physical Review B, Vol. 48, Núm. 9, pp. 5891-5901

  2. Quantum mechanical cluster calculations of ionic materials: the ab initio perturbed ion (version 7) program

    Computer Physics Communications, Vol. 77, Núm. 1, pp. 107-134

  3. Quantum-mechanical modeling of the high-pressure state equations of ZnO and ZnS

    Physical Review B, Vol. 47, Núm. 6, pp. 3401-3403

  4. Stability of transition-metal impurities in ionic fluorides from approximate hartree-fock cluster calculations

    Journal of Solid State Chemistry, Vol. 102, Núm. 1, pp. 226-235

1991

  1. Local wave functions for multinegative ions in solids

    Radiation Effects and Defects in Solids, Vol. 119-121, Núm. 2, pp. 727-728

  2. Simulation of Transition Metal Ions in Ionic Crystals

    Radiation Effects and Defects in Solids, Vol. 119-121, Núm. 1, pp. 287-299

1990

  1. Quantum-mechanical description of ions in crystals: Electronic structure of magnesium oxide

    Physical Review B, Vol. 42, Núm. 3, pp. 1791-1801

  2. Theoretical calculation of bulk properties of ionic crystals from the cluster approach: Application to NaF

    Journal of Solid State Chemistry, Vol. 89, Núm. 1, pp. 39-59

1989

  1. Effects of a quantum-mechanical lattice on the electronic structure and d-d spectrum of the (MnF6)4- cluster in Mn 2+:KZnF3

    The Journal of Chemical Physics, Vol. 90, Núm. 11, pp. 6409-6421