ALACANT is a long-term project started in the year 2000 at the Physics Department of the University of Alicante with the aim to compute the electrical current in atomically-defined nanostructures combining self-consistent field electronic structure calculations (typically Density Functional Theory), Landauer  transport formalism, and the (non-equilibrium) Green's functions formalism.

At present, the ALACANT software package is composed of the following independent codes commonly named under ANT (Atomistic NanoTransport):

  • ANT.G: This code has been designed as a generic computational tool with application in nanoelectronics. It relies on the GAUSSIAN03/09 code with which interfaces in a seamless manner. Straightforwad use of ANT.G include the computation of the zero-bias conductance (or, alternatively, the electrical current under an applied bias voltage) of a variety of nanoscale systems such as molecular bridges or simply metallic atomic contacts as those created with scanning tunneling microscope or break junction techniques. The use of ANT.G may also be naturally extended to the computation of scanning tunneling spectroscopy and the simulation of scanning tunneling and electrostatic force microscopy.
ANT.1D: This code has been specifically designed for the computation of the conductance at zero bias voltage in quasi-one-dimensional systems such as atomic chains, nanowires, carbon nanotubes, graphene nanoribbons, etc., which may present a disordered central region where scattering takes place.  Other systems without an underlying one-dimensional symmetry such as molecular bridges can also be computed with ANT.1D by modeling the electrodes as finite-section quasi-one-dimensional wires. The use of ANT.G may be, however, more appropriate in these cases.


    ANT.U: This code is specifically designed for the computation of the conductance at zero bias voltage in, e.g., graphene-based systems using a one-orbital minimal model and on-site interactions (Hubbard model).
 
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