Pablo San-Jose

Affiliation

Consejo Superior de Investigaciones Científicas

Title of work

Quantica.jl: simulating tight-binding models in the Julia language

Authors

Pablo San-Jose (Consejo Superior de Investigaciones Científicas)

Abstract

Quantica.jl is a new package for simulating the electronic and transport properties of tight-binding models, developed in the Julia language. It introduces a carefully designed domain-specific language for defining arbitrary Bravais Lattices, tight-binding Models and Hamiltonians, of arbitrary geometry and dimensionality. Hamiltonians can have arbitrary parametric dependencies and number of orbitals per site. Quantica.jl can compute smoothly interpolated Bandstructures of periodic Hamiltonians, or slices and linecuts of said Bandstructures. It can also compute GreenFunctions of Hamiltonians, using a range of solvers, possibly incorporating SelfEnergies resulting from their coupling to other Hamiltonians. From GreenFunctions we can obtain a range of Observables, such as local density of states (ldos), current densities, Josephson currents, conductances, transmissions, etc. This workflow allows in particular to define the traditional central+leads scattering systems typical of multiterminal mesoscopic problems, but also much more general combinations of systems with heterogeneous dimensionality and structure. This poster presents a small subset of Quantica.jl's current functionality.