Litcius/Paper detail

PYATB: An efficient Python package for electronic structure calculations using ab initio tight-binding model

Gan Jin, Hongsheng Pang, Yuyang Ji, Zujian Dai, Lixin He

2023Computer Physics Communications15 citationsDOI

Topics & Concepts

Berry connection and curvatureTight bindingHamiltonian (control theory)Brillouin zonePhysicsBand gapTopology (electrical circuits)Electronic structureGeometric phaseCondensed matter physicsMathematicsCombinatoricsMathematical optimizationTopological Materials and Phenomena2D Materials and ApplicationsGraphene research and applications