We are pleased to announce the publication of a new article in Physical Review B titled “Antiferromagnetic ground state of La2CuO4: A parameter-free ab initio description” (DOI:10.1103/PhysRevB.98.125140), describing our work in using state of the art DFT methods to model the complicated ground state of lanthanum cuprate. This paper is one of a series resulting from the group’s enormously successful collaboration with researchers from Northeastern University.
You can download the paper from our archive or from Physical Review B directly.
The paper can be seen as a development from the initial breakthrough in modelling complex rare earth cuprates detailed in our previous Communications Physics publication.