Electronic Transport

../_images/preview26.png

Electronic transport in a carbon nanotube

Keywords: BAND, DFTB, organic electronics, NEGF (Non-Equilibrium Green’s Function), lead, transmission function, current

../_images/preview27.png

Electronic transport in a 1D gold chain

Keywords: BAND, DFTB, NEGF (Non-Equilibrium Green’s Function), metal wire, lead, transmission function, current

../_images/preview28.png

Gate and Bias potentials

Keywords: BAND, NEGF (Non-Equilibrium Green’s Function), metal wire, gate potential, bias potential, transmission function, current

../_images/preview29.png

Spin transport in Chromium wire

Keywords: BAND, NEGF (Non-Equilibrium Green’s Function), metal wire, spin, transmission function, current

../_images/preview30.png

NEGF: Create a Molecular Junction

Keywords: DFTB, organic electronics, NEGF (Non-Equilibrium Green’s Function), metal wire, gate potential, tip, transmission function, current

../_images/preview31.png

Electron and hole mobilities in organic electronics: charge transfer integrals

Keywords: ADF, charge transfer integrals, electronic coupling, Marcus theory, reorganization energies, hopping rates, field-effect transistors (OFETs), light-emitting diodes (OLEDs) and photovolatic cells (OPVs), effective mass tensor

../_images/preview32.png

Band Structure and Effective Mass Tensors of Phosphorene

Keywords: BAND, nanomaterials, electronic band structure, band gap, effective mass