Solid State Physics
Project Investigator Professor Werner Hofer
Scientific/ Technical Objectives
- Scanning tunneling spectroscopy (funded by Royal Society URF)
- Adsorptions on metal surfaces, metal compounds,
- and surface defects (two EPSRC grants, one ORS)
- Supramolecular structures on metals and semiconductors (European STREP network)
- Transport and bonding at the low conductance limit
- Inelastic tunneling spectroscopy (EPSRC grant,collaboration with the London Centre for Nanotechnology)
Role of NW-GRID All of the above research areas have demanding computational requirements. As the research has progressed the underlying models have grown in size, with a proportional increase in the computational requirements. The current NW-GRID organisation provides a good basis for such computing.
Applications Software VASP, CRYSTAL, bSKAN (internal)
Grid Software GSI-SSHTerm, grid-wrappers to launch VASP are under development
Progress to date Over 75,000 core hours of computation have been performed since work started on the NW-GRID system in 2007.
Publications (The following are representative of recent work, not all of which was performed on the NW-GRID.)
- Conductance and Kondo Effect in a Controlled Single-Atom Contact
- N. Néel,1 J. Kröger, L. Limot, K. Palotas, W. A. Hofer, and R. Berndt. Phys. Rev. Lett. 98, 016801 (2007)
- Maskless nanopatterning and formation of nanocorrals and switches, for haloalkenes at Si(111)-7x7
S. Dobrin, KR Harikumar, TB Lim, L Leung, IR McNab, JC Polanyi, PA Sloan, Z Waqar, J Yang, S Ayissi, WA Hofer. Nanotechnology 18, 044012 (2007)
- Detection of spin-states in Mn-doped gallium arsenide films Werner A Hofer, Krisztian Palotas, Gilberto Teobaldi, Janusz Sadowski, Anders Mikkelsen, and Edvin Lundgren. Nanotechnology 18, 044006 (2007)
- Electronic Switching of Silicon Atoms by Molecular Field Effects Krishnan R. Harikumar, John C. Polanyi, Peter A. Sloan, Serge Ayissi, and Werner A. Hofer. J. Am. Chem. Soc. 128, 16791 (2006)
- Formation of a Regular Fullerene Nanochain Lattice
- Wende Xiao, Pascal Ruffieux, Kamel Aït-Mansour, Oliver Gröning, Krisztian Palotas, Werner A. Hofer, Pierangelo Gröning, and Roman Fasel. J. Phys. Chem. B 110, 21349 (2006)