Expired Project

Transport properties of organic macromolecules: modeling at the boundaries between biology and nano-electronics

Project details

Project title: Transport properties of organic macromolecules: modeling at the boundaries between biology and nano-electronics
Project code: tcphy003a
Project class: A

Start date: Saturday 1 July 2006
End date: Thursday 31 December 2009

Full National Service

National Capability Service

People

Project PI: Prof. Stefano Sanvito
Number of users: 6-10
Registered users: 18

Resulting publications

• Atomic-orbital-based approximate self-interaction correction scheme for molecules and solids
• Observation of van der Waals driven self-assembly of MoSI nanowires into a low symmetry structure using aberration corrected electron microscopy
• Resonant magnetoresistance in organic spin-valves
• Memoirs of a spin
• Ab initio calculation of the bias-dependent transport properties of Mn₁₂ molecules
• Simulating STM transport in alkanes from first principles
• Resonant electronic states and I-V curves of Fe/MgO/Fe(100) tunnel junctions
• Exploring the limits of the self-consistent Born approximation for inelastic electronic transport
• Predicting d0 magnetism
• Search for magnetoresistance in excess of 1000% in Ni point contacts: Density functional calculations
• Efficient Atomic Self-Interaction Correction Scheme for Nonequilibrium Quantum Transport
• Exchange parameters from approximate self-interaction correction scheme

Allocated resources