gollum5s

GOLLUM is a program that computes the charge, spin and thermal transport properties of multi-terminal nano-scale junctions.

The program can compute transport properties of either user-defined systems described by a tight-binding Hamiltonian, or more material-specific properties of systems composed of real atoms described by DFT Hamiltonians.

GOLLUM: a next generation quantum transport simulation tool

GOLLUM delivers the following functionalities:

  1. Simulates multi-terminal devices
  2. Reads either Tight-Binding or DFT hamiltonians
  3. Computes the full scattering matrix
  4. Computes charge transport
    1. Number of open scattering channels
    2. Transmission and reflection coefficents
    3. Shot-noise
  5. Computes heat transport
    1. Thermal conductance
    2. Thermopower (Seebeck coefficent)
    3. Peltier coefficent
  6. Computes spin transport
    1. Collinear spins systems
    2. Non-collinear spins systems
    3. Systems with strong spin-orbit interaction
  7. Computes zero-voltage as well as I-V curves
  8. Handles vdW and LDA+U functionals
  9. Scissors corrections scheme for strongly correlated systems
  10. Computes band-structure of the leads and density of states (DOS) in the scattering region
  11. Covers large samples enabling to analize ballistic to diffusive regime


Version 2.0 will come with

  •     **  Kondo & Coulomb blockade physics
  •     **  Magnetic field and integer quantum Hall effect
  •     **  Info about Local charge, spin, current and spin-current densities inside the scattering region
  •     **  Scripts to handle multiscale simulations
  •     **  Interface to plane-wave codes using Wannier90 code

 

  logo oviedo