Quantica.jl

Quantica.jl is a Julia package for building generic tight-binding models and computing various spectral and transport properties.

Important information

This package supersedes Elsa.jl, which will soon be deprecated.

Manual

Current functionality

  • Build arbitrary lattices (periodic or bounded in any dimension and with any unit cell)

  • Define generic model Hamiltonians by applying a model onto a lattice

  • Use models with arbitrary orbital structure, spatial dependence and coordination (e.g. normal/superconducting, spin-orbit coupling, etc.)

  • Define parametric Hamiltonians that efficiently implement external parameters dependencies

  • Efficiently compute the Bloch Hamiltonian matrix at arbitrary wave vector

  • Compute the band structure or spectrum of a Hamiltonian, using advanced meshing and co-diagonalization techniques to resolve degeneracies and extract subbands

  • Use Order-N Kernel polynomial methods to compute spectral and transport properties efficiently

Funding

This work has been partly funded by the Spanish Ministry of Economy and Competitiveness under Grant Nos. FIS2015-65706-P, PCI2018-093026, and the CSIC Intramural Project 201760I086.