First-principles calculation of transport properties of a molecular device

By M. Di Ventra, S. Pantelides, N. D. Lang. Physical Review Letters, 2000

692 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Biomedical Engineering, Electrical and Electronic Engineering

View Paper: https://www.semanticscholar.org/paper/498e2e5e9d459c373fc4a13f02b7b0e047145261

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. J. V. van Ruitenbeek
2. Mads Brandbyge
3. Richard Koryt'ar
4. S. Tewari
5. F. Evers
6. Wei Dang Lu
7. Stefano Sanvito
8. L. Venkataraman

In Biomedical Engineering

1. Wei Dang Lu
2. Michael Zwolak
3. J. V. van Ruitenbeek
4. F. Evers
5. Richard Koryt'ar
6. S. Tewari
7. M. Di Ventra
8. L. Venkataraman

In Electrical and Electronic Engineering

1. J. V. van Ruitenbeek
2. Wei Dang Lu
3. Mads Brandbyge
4. F. Evers
5. Richard Koryt'ar
6. S. Tewari
7. Michael Zwolak
8. M. Di Ventra

Citations in the corpus

• Electrostatic modification of novel materials (2006, methodology): “This already constitutes a sort of doping of the molecular structure Di Ventra et al., 2000b; Di Ventra and Lang, 2002 .”
• Single-molecule junctions beyond electronic transport. (2013, background): “Specifically, the measurements of forces across single metal–molecule–metal junctions and of metal point contacts provide independent mechanical information, which can be used to: (1) relate junction structure to conductance, (2) quantify bonding at the molecular scale, and (3) provide a mechanical ”
• Advances and challenges in single-molecule electron transport (2019, methodology): “First studies of the BDT-transmission relied on simplified approaches such as, e.g., Hückel models (Emberly 51 and Kirczenow, 1998) and DFT-studies with electrodes treated as Jellium-models (Di Ventra et al., 2000).”