VICTOR
LUAÑA CABAL
Investigador/a
JOSE MANUEL
RECIO MUÑIZ
Catedrático de Universidad
Publicaciones en las que colabora con JOSE MANUEL RECIO MUÑIZ (27)
2002
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Rigorous characterization of oxygen vacancies in ionic oxides
Physical Review B - Condensed Matter and Materials Physics, Vol. 66, Núm. 7, pp. 751031-751036
2001
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Microscopic analysis of the compressibility in the spinel phase of Si3N4
Europhysics Letters, Vol. 54, Núm. 6, pp. 760-766
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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
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Local compressibilities in crystals
Physical Review B - Condensed Matter and Materials Physics, Vol. 62, Núm. 21, pp. 13970-13978
1999
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Strategies for determining and using ab initio interionic potentials
Radiation Effects and Defects in Solids, Vol. 151, Núm. 1, pp. 223-228
1998
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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
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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
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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
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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
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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
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Static simulations of CaF2 polymorphs
Physical Review B, Vol. 49, Núm. 9, pp. 5858-5868
1993
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Low- and high-pressure ab initio equations of state for the alkali chlorides
Physical Review B, Vol. 48, Núm. 9, pp. 5891-5901
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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
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Quantum-mechanical modeling of the high-pressure state equations of ZnO and ZnS
Physical Review B, Vol. 47, Núm. 6, pp. 3401-3403
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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
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Local wave functions for multinegative ions in solids
Radiation Effects and Defects in Solids, Vol. 119-121, Núm. 2, pp. 727-728
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Simulation of Transition Metal Ions in Ionic Crystals
Radiation Effects and Defects in Solids, Vol. 119-121, Núm. 1, pp. 287-299
1990
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Quantum-mechanical description of ions in crystals: Electronic structure of magnesium oxide
Physical Review B, Vol. 42, Núm. 3, pp. 1791-1801
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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
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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