Browsing by Author Delley, Bernard

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Issue DateTitleAuthor(s)Citation
2006Magnetic metastability in tetrahedrally bonded magnetic III-Nitride semiconductorsCui, Xiangyuan; Stampfl, Catherine; Delley, Bernard; Freeman, A. J.; Physics; PhysicsMagnetic metastability in tetrahedrally bonded magnetic III-Nitride semiconductors, Physical Review Letters, vol.97,(1),2006,pp 016402-1-016402-4
2015Molecular adsorption and methanol synthesis on the oxidized Cu/ZnO(0001) surfaceLyle, Matthew; Stampfl, Catherine; Warschkow, Oliver; Delley, Bernard; Physics; Physics; PhysicsMolecular adsorption and methanol synthesis on the oxidized Cu/ZnO(0001) surface, Surface Science, vol.641, N/A, 2015,pp 97-104
2013Molecular adsorption on silicon (001): A systematic evaluation of size effects in slab and cluster modelsMcKenzie, David; TRACEY, Daniel Francis; Warschkow, Oliver; Delley, Bernard; Physics; Physics; PhysicsMolecular adsorption on silicon (001): A systematic evaluation of size effects in slab and cluster models, AIP Advances, vol.3, 4, 2013,pp 1-20
2008Morphology of copper nanoparticles in a nitrogen atmosphere: A first-principles investigationSoon, Aloysius; Stampfl, Catherine; Wong, Lindee; Delley, Bernard; Physics; Physics; PhysicsMorphology of copper nanoparticles in a nitrogen atmosphere: A first-principles investigation, Physical Review B (Condensed Matter and Materials Physics), vol.77,(12),2008,pp 125423-1-125423-13
2009Native defect-induced multifarious magnetism in nonstoichiometric cuprous oxide: First-principles study of bulk and surface properties of Cu2-OCui, Xiangyuan (Carl); Soon, Aloysius; Stampfl, Catherine; Delley, Bernard; Wei, Su-Huai; Aerospace Mech & M'tronic Eng; Physics; PhysicsNative defect-induced multifarious magnetism in nonstoichiometric cuprous oxide: First-principles study of bulk and surface properties of Cu2-O, Physical Review B (Condensed Matter and Materials Physics), vol.79, 3, 2009,pp 035205-1-035205-15
2007Neutral and charged embedded clusters of Mn in doped GaN from first principlesCui, Xiangyuan; Stampfl, Catherine; Delley, Bernard; Freeman, A. J.; Physics; PhysicsNeutral and charged embedded clusters of Mn in doped GaN from first principles, Physical Review B (Condensed Matter and Materials Physics), vol.76,(4),2007,pp 045201-1-045201-12
2007Nitrogen adsorption and thin surface nitrides on Cu(1 1 1) from first-principlesLee, Michael; Soon, Aloysius; Stampfl, Catherine; Todorova, Mira; Wong, Lindee; Delley, Bernard; Physics; Physics; Physics; Physics; PhysicsNitrogen adsorption and thin surface nitrides on Cu(1 1 1) from first-principles, Surface Science, vol.601,(N/A),2007,pp 4775-4785
2006Oxygen adsorption and stability of surface oxides on Cu(111): A first-principles investigationSoon, Aloysius; Stampfl, Catherine; Todorova, Mira; Delley, Bernard; Physics; Physics; PhysicsOxygen adsorption and stability of surface oxides on Cu(111): A first-principles investigation, Physical Review B (Condensed Matter and Materials Physics), vol.73,(16),2006,pp 165424-1-165424-12
2009Quantum confinement effects in gallium nitride nanostructures: ab initio investigationsCarter, Damien; Puckeridge, Max; Stampfl, Catherine; Delley, Bernard; Physics; Chemistry; PhysicsQuantum confinement effects in gallium nitride nanostructures: ab initio investigations, Nanotechnology, vol.20,(42),2009,pp 425401-1-425401-5
2010Reaction intermediates of methanol synthesis and the water-gas-shift reaction on the ZnO(0001) surfaceChuasiripattana, Katawut; Stampfl, Catherine; Warschkow, Oliver; Delley, Bernard; Physics; Physics; PhysicsReaction intermediates of methanol synthesis and the water-gas-shift reaction on the ZnO(0001) surface, Surface Science, vol.604, 19-20,pp 1742-1751
2005Role of embedded Clustering in Dilute Magnetic Semiconductors: Cr Doped GaNCui, Xiangyuan; Stampfl, Catherine; Delley, Bernard; Freeman, A. J.; Medvedeva, J E; Newman, N; Physics; PhysicsRole of embedded Clustering in Dilute Magnetic Semiconductors: Cr Doped GaN, Physical Review Letters, vol.95,(25),2005,pp 256404-1-256404-4
2006Role of oxygen in TiN(111)/SixNy/TiN(111) interfaces: Implications for superhard nanocrystalline nc-TiN/a-Si3N4 nanocompositesHao, Shiqiang; Stampfl, Catherine; Delley, Bernard; Physics; PhysicsRole of oxygen in TiN(111)/SixNy/TiN(111) interfaces: Implications for superhard nanocrystalline nc-TiN/a-Si3N4 nanocomposites, Physical Review B (Condensed Matter and Materials Physics), vol.74,(3),2006,pp 035424-1-035424-10
2007Spatial distribution and magnetism in poly-Cr-doped GaN from first principlesCui, Xiangyuan; Stampfl, Catherine; Delley, Bernard; Freeman, A. J.; Medvedeva, J E; Physics; PhysicsSpatial distribution and magnetism in poly-Cr-doped GaN from first principles, Physical Review B (Condensed Matter and Materials Physics), vol.75,(15),2007,pp 155205-1-155205-13
2009Stability and morphology of cerium oxide surfaces in an oxidizing environment: A first-principles investigationFronzi, Marco; Soon, Aloysius; Stampfl, Catherine; Delley, Bernard; Traversa, Enrico; Physics; Physics; PhysicsStability and morphology of cerium oxide surfaces in an oxidizing environment: A first-principles investigation, Journal of Chemical Physics, vol.131, 10,pp 104701-1-104701-16
2008Stability, structure, and electronic properties of chemisorbed oxygen and thin surface oxides on Ir(111)Soon, Aloysius; Stampfl, Catherine; Zhang, Hong; Delley, Bernard; Physics; Physics; PhysicsStability, structure, and electronic properties of chemisorbed oxygen and thin surface oxides on Ir(111), Physical Review B (Condensed Matter and Materials Physics), vol.78,(4),2008,pp 045436-1-045436-12
2006Structure and properties of TiN(111)/SixNy/TiN(111) interfaces in superhard nanocomposites: First-principles investigationsHao, Shiqiang; Stampfl, Catherine; Delley, Bernard; Physics; PhysicsStructure and properties of TiN(111)/SixNy/TiN(111) interfaces in superhard nanocomposites: First-principles investigations, Physical Review B (Condensed Matter and Materials Physics), vol.74,(3),2006,pp 035402-1-035402-12
2006Superhard nitride-based nanocomposites: Role of interfaces and effect of impuritiesHao, Shiqiang; Stampfl, Catherine; Delley, Bernard; Veprek, Stan; Physics; PhysicsSuperhard nitride-based nanocomposites: Role of interfaces and effect of impurities, Physical Review Letters, vol.97,(8),2006,pp 086102-1-086102-4
2007Surface oxides of the oxygen–copper system: Precursors to the bulk oxide phase?Soon, Aloysius; Stampfl, Catherine; Todorova, Mira; Delley, Bernard; Physics; Physics; PhysicsSurface oxides of the oxygen–copper system: Precursors to the bulk oxide phase?, Surface Science, vol.601,(24),2007,pp 5809-5813
2009Tunnel magnetoresistance in trilayer junctions from first principles: Cr - layer doped GaN/AlN/GaN (0 0 0 1)Cui, Xiangyuan; Stampfl, Catherine; Delley, Bernard; Freeman, A. J.; Physics; PhysicsTunnel magnetoresistance in trilayer junctions from first principles: Cr - layer doped GaN/AlN/GaN (0 0 0 1), Journal of Magnetism and Magnetic Materials, vol.322, 4,pp 395-399
2010Tunnel magnetoresistance in trilayer junctions from first principles: Cr delta-layer doped GaN/AlN/GaN (0001)Cui, Xiangyuan; Stampfl, Catherine; Delley, Bernard; Freeman, A. J.; Physics; PhysicsTunnel magnetoresistance in trilayer junctions from first principles: Cr delta-layer doped GaN/AlN/GaN (0001), Journal of Magnetism and Magnetic Materials, vol.322, 4,pp 395-399