CONDENSED MATTER THEORY GROUP

• Mock-Oral presentations for the APS2007 March meeting
  • Characterizing the copper -based catalyst for the oxygen-assisted water-gas shift reaction at a sub-nano scale. [Aloysius]
  • First-principles Investigation of the Neutral and Charged Embedded Clustering in Mn doped GaN: Revisited [Carl]
  • Effect of Native Defects in InN: Metallic bonding and N₂ Formation [Xiangmei]
  • Morphology of cerium oxide surfaces in an oxidzing enviroment:a first-principles investigation [Marco]
  • Investigation of the Role of Surface Oxides in Catalysis by Gold Nanoparticles [Robyn]

• Vacation Scholar Seminar 2007
  • Nitrogen adsorption and thin surface nitrides on Cu(111) surface [Lindee]
  • DFT study of Mn-doped SiC [Murad]
  • Elastic properties of superhard nitrides [Ben]
  • Physics and chemistry of the TiO₂(110) surface [Michael]
  • Thermodynamic stability of InN surfaces [Nathan]

• Theoretical modeling of electronic transport in molecular devices

• Clustering behavior in Mn-doped Ge: effects and possible remedies

• First Principles Study Of Ag-Cu Alloys In The Presence Of Oxygen

Michael West
Murad Tayebjee
Lindee Wong
School of Physics
LT2

• 3rd Year Special Project Presentation
  1. TiO₂(110) surface: A first-principles investigation [Michael]
  2. A DFT study of Mn-complexes in SiC [Murad]
  3. Ultra-thin surface nitrides on Cu surfaces: An ab initio approach [Lindee]

Oliver Warschkow
School of Physics
Council Room

• Water on Si(001) surface: c-defects and elementary steps of surface oxide formation

Xiangmei Duan
School of Physics
Tut Room 414

• O/Cu(110) and (100): Oxidic surface structures and phase diagrams

Daniel
Fernández Hevia
School of Physics
Council Room

• Oxygen and silicon defect complexes in AlN: The origin of n-type doping

Katawut Chuasiripattana
School of Physics
Council Room

• Electron-counting rule and compound semiconductor surfaces

Andrew Das Arulsamy
School of Physics
Council Room

• Ionization energy model applied to High-T_c superconductors, ferroelectrics and ferromagnets

Marco Fronzi
School of Physics
Tut Rm 414

• Structure and stability of cerium oxide surfaces in an oxidizing environment from first-principles [AVS2007 talk]

Damien Carter
School of Physics
Tut Rm 414

• Stability, Structure and Electronic Properties of Vacancies in GaN Nanowires from First-Principles [Wagga2008 talk]

Katawut
Chuasiripattana,
Simone Piccinin
School of Physics
Council Room

• Mock-Oral presentations for the APS2008 March meeting

Various members
School of Physics
Council Room

• Research overview / progress report
  • (a) Band-gap engineering: AlN/GaN, (b) TMR in Gr-doped III-V interfaces [Carl]
  • First-principles study of Ag-Cu alloy surfaces for ethylene epoxidation [Simone]
  • A first-principles study on atomic geometries of reaction intermediates in methanol synthesis and water gas shift reaction on the ZnO(0001) surface [Katawut]
  • Multifarous magnetism in nanostructured copper oxide [Aloysius]
  • Reaction of water on ceria surfaces [Marco]
  • III-V co-doping in ZnO [Xiangmei]