237 citations · 649 across the 10 of their papers we have counts for
10 papers
Models of Electrodes and Contacts in Molecular Electronics
San-Huang Ke, Harold U. Baranger, Weitao Yang
Bridging the difference in atomic structure between experiments and theoretical calculations and exploring quantum confinement effects in thin electrodes (leads) are both important…
Interactions and Broken Time-Reversal Symmetry in Chaotic Quantum Dots
Denis Ullmo, Hong Jiang, Weitao Yang +1
When treating interactions in quantum dots within a RPA-like approach, time-reversal symmetry plays an important role as higher-order terms -- the Cooper series -- need to be inclu…
Electron Transport Through Molecules: Gate Induced Polarization and Potential Shift
San-Huang Ke, Harold U. Baranger, Weitao Yang
We analyze the effect of a gate on the conductance of molecules by separately evaluating the gate-induced polarization and the potential shift of the molecule relative to the leads…
Contact Atomic Structure and Electron Transport Through Molecules
San-Huang Ke, Harold U. Baranger, Weitao Yang
Using benzene sandwiched between two Au leads as a model system, we investigate from first principles the change in molecular conductance caused by different atomic structures arou…
Molecular Conductance: Chemical Trends of Anchoring Groups
San-Huang Ke, Harold U. Baranger, Weitao Yang
Combining density functional theory calculations for molecular electronic structure with a Green function method for electron transport, we calculate from first principles the mole…
Landau Fermi Liquid Picture of Spin Density Functional Theory: Strutinsky Approach to Quantum Dots
Denis Ullmo, Hong Jiang, Weitao Yang +1
We analyze the ground state energy and spin of quantum dots obtained from spin density functional theory (SDFT) calculations. First, we introduce a Strutinsky-type approximation, i…