Browsing by Author Delley, Bernard

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Issue DateTitleAuthor(s)Citation
2008Aluminium Absorption on Ir(I I I) at a quarter mono-layer coverage: A first principles studySoon, Aloysius; Stampfl, Catherine; Zhang, Hong; Delley, Bernard; Physics; Physics; PhysicsAluminium Absorption on Ir(I I I) at a quarter mono-layer coverage: A first principles study, Applied Surface Science, vol.254, N/A, 2008,pp 7655-7658
2010Band gap engineering of wurtzite and zinc-blende GaN/AlN superlattices from first principlesCui, Xiang Yuan; Stampfl, Catherine; Delley, Bernard; Australian Centre for Microscopy and Microanalysis (ACMM); PhysicsBand gap engineering of wurtzite and zinc-blende GaN/AlN superlattices from first principles, Journal of Applied Physics, vol.108, 10, 2010,pp 103701-1-103701-10
2012Band offsets and polarization effects in wurtzite ZnO/Mg 0.25 Zn 0.75 O superlattices from first principlesCui, Xiangyuan (Carl); Stampfl, Catherine; Weston, L.; Delley, Bernard; Aerospace Mech & M'tronic Eng; Physics; PhysicsBand offsets and polarization effects in wurtzite ZnO/Mg 0.25 Zn 0.75 O superlattices from first principles, Physical Review B (Condensed Matter and Materials Physics), vol.86, 20, 2012,pp 1-9
2008Built-in electric field assisted spin injection in Cr and Mn delta-layer doped AlN/GaN(0001) heterostructures from first principlesCui, Xiangyuan (Carl); Stampfl, Catherine; Delley, Bernard; Freeman, A. J.; Medvedeva, J E; Aerospace Mech & M'tronic Eng; PhysicsBuilt-in electric field assisted spin injection in Cr and Mn delta-layer doped AlN/GaN(0001) heterostructures from first principles, Physical Review B (Condensed Matter and Materials Physics), vol.78, N/A, 2008,pp 245317-1-245317-15
2011Built-in electric fields and valence band offsets in InN/GaN(0001) superlattices: First-principles investigationsCui, Xiang Yuan; Shieh, C.; Stampfl, Catherine; Delley, Bernard; Australian Centre for Microscopy and Microanalysis (ACMM); Physics; PhysicsBuilt-in electric fields and valence band offsets in InN/GaN(0001) superlattices: First-principles investigations, Journal of Applied Physics, vol.109, 8, 2011,pp 083721-1-083721-8
2014CHx adsorption (x = 1-4) and thermodynamic stability on the CeO2(111) surface: A first-principles investigationStampfl, Catherine; Delley, Bernard; Fronzi, M; Piccinin, S.; Traversa, Enrico; PhysicsCHx adsorption (x = 1-4) and thermodynamic stability on the CeO2(111) surface: A first-principles investigation, RSC Advances, vol.4, 24, 2014,pp 12245-12251
2010Continuously tunable band gap in GaN/AlN (0001) superlattices via built-in electric fieldCarter, Damien; Cui, Xiangyuan (Carl); Stampfl, Catherine; Delley, Bernard; Freeman, A. J.; Fuchs, M.; Wei, Su-Huai; Physics; Aerospace Mech & M'tronic Eng; PhysicsContinuously tunable band gap in GaN/AlN (0001) superlattices via built-in electric field, Physical Review B (Condensed Matter and Materials Physics), vol.81, 15, 2010,pp 155301-1-155301-5
2010Coverage and charge-state dependent adsorption of carbon monoxide on the zinc oxide (0001) surfaceLyle, Matthew; Stampfl, Catherine; Warschkow, Oliver; Delley, Bernard; Physics; Physics; PhysicsCoverage and charge-state dependent adsorption of carbon monoxide on the zinc oxide (0001) surface, Physical Review B (Condensed Matter and Materials Physics), vol.82, 16,pp 165401-1-165401-9
2011Cu/ZnO(0001) under oxidating and reducing conditions: A first-principles survey of surface structuresChuasiripattana, Katawut; Lyle, Matthew; Stampfl, Catherine; Warschkow, Oliver; Delley, Bernard; Physics; Physics; Physics; PhysicsCu/ZnO(0001) under oxidating and reducing conditions: A first-principles survey of surface structures, Physical Review B (Condensed Matter and Materials Physics), vol.84, N/A, 2011,pp 125311-1-125311-25
2010Density functional study of oxygen on Cu(100) and Cu(110) surfacesDuan, Xiangmei; Soon, Aloysius; Stampfl, Catherine; Warschkow, Oliver; Delley, Bernard; Physics; Physics; Physics; PhysicsDensity functional study of oxygen on Cu(100) and Cu(110) surfaces, Physical Review B (Condensed Matter and Materials Physics), vol.81, 7, 2010,pp 075430-1-075430-15
2013Early transition metal dopants in cuprous oxide: To spin or not to spinStampfl, Catherine; Wallman, Joel; Delley, Bernard; Soon, Aloysius; Physics; PhysicsEarly transition metal dopants in cuprous oxide: To spin or not to spin, Current Applied Physics, vol.13, 8, 2013,pp 1707-1712
2007Embedded clustering in Cr-doped AlN: Evidence for general behavior in dilute magnetic III-nitride semiconductorsCui, Xiangyuan; Fernandez Hevia, Daniel; Stampfl, Catherine; Delley, Bernard; Freeman, A. J.; Physics; Physics; PhysicsEmbedded clustering in Cr-doped AlN: Evidence for general behavior in dilute magnetic III-nitride semiconductors, Journal of Applied Physics, vol.101,(10),2007,pp 103917 - 1-103917 - 6
2012Environment-dependent nanomorphology of TiN: the influence of surface vacanciesStampfl, Catherine; Delley, Bernard; Lee, Taehun; Soon, Aloysius; PhysicsEnvironment-dependent nanomorphology of TiN: the influence of surface vacancies, Nanoscale, vol.4, 16, 2012,pp 5183-5188
2012First principles study of 3d transition metal doped Cu3NCui, Xiangyuan (Carl); Liu, Zongwen; Phillips, Andrew; Ringer, Simon; Soon, Aloysius; Stampfl, Catherine; Zheng, Rongkun; Delley, Bernard; Aerospace Mech & M'tronic Eng; Chemical & Biomolecular Engineering; Physics; Aerospace Mech & M'tronic Eng; Physics; Physics; PhysicsFirst principles study of 3d transition metal doped Cu3N, Journal of Magnetism and Magnetic Materials, vol.324, 19, 2012,pp 3138-3143
2009First-principles investigation of Mn -layer doped GaN/AlN/GaN (0001) tunneling junctionsCui, Xiangyuan; Stampfl, Catherine; Delley, Bernard; Freeman, A. J.; Physics; PhysicsFirst-principles investigation of Mn -layer doped GaN/AlN/GaN (0001) tunneling junctions, Journal of Applied Physics, vol.106, 4,pp 043711-1-043711-9
2012A first-principles study of ultrathin nanofilms of MgO-supported TiNStampfl, Catherine; Delley, Bernard; Kim, C; Soon, Aloysius; Zhang, R; PhysicsA first-principles study of ultrathin nanofilms of MgO-supported TiN, Physical Chemistry Chemical Physics, vol.14, 7, 2012,pp 2462-2467
2008Geometry and diameter dependence of the electronic and physical properties of GaN nanowires from first principlesCarter, Damien; Stampfl, Catherine; Delley, Bernard; Gale, Julian D; Physics; PhysicsGeometry and diameter dependence of the electronic and physical properties of GaN nanowires from first principles, Physical Review B (Condensed Matter and Materials Physics), vol.77, 11, 2008,pp 115349-1-115349-12
2012Hardness analysis of cubic metal mononitrides from first principlesCui, Xiangyuan (Carl); Fulcher, Benjamin; Stampfl, Catherine; Delley, Bernard; Aerospace Mech & M'tronic Eng; Physics; PhysicsHardness analysis of cubic metal mononitrides from first principles, Physical Review B (Condensed Matter and Materials Physics), vol.85, 18, 2012,pp 184106-1-184106-9
2013Hydrogen adsorption capacity of adatoms on double carbon vacancies of graphene: A trend study from first principlesCui, Xiangyuan (Carl); Fair, K. M.; Li, Lily; Liu, Zongwen; Ringer, Simon; Shieh, C.; Stampfl, Catherine; Zheng, Rongkun; Delley, Bernard; Ford, Michael; Aerospace Mech & M'tronic Eng; Physics; Physics; Chemical & Biomolecular Engineering; Aerospace Mech & M'tronic Eng; Physics; Physics; PhysicsHydrogen adsorption capacity of adatoms on double carbon vacancies of graphene: A trend study from first principles, Physical Review B (Condensed Matter and Materials Physics), vol.87, 1, 2013,pp 1-7
2011Magic numbers of nanoholes in graphene: Tunable magnetism and semiconductivityCui, Xiang Yuan; Li, Lily; Liu, Zongwen; Ringer, Simon; Stampfl, Catherine; Zheng, Rongkun; Delley, Bernard; Australian Centre for Microscopy and Microanalysis (ACMM); Australian Centre for Microscopy and Microanalysis (ACMM); Australian Centre for Microscopy and Microanalysis (ACMM); Australian Centre for Microscopy and Microanalysis (ACMM); Physics; Australian Centre for Microscopy and Microanalysis (ACMM)Magic numbers of nanoholes in graphene: Tunable magnetism and semiconductivity, Physical Review B (Condensed Matter and Materials Physics), vol.84, N/A, 2011,pp 125410-1-125410-7