Implicit in the study of magnetic materials is the concept of spin Hamiltonians, which emerge as the low-energy theories of correlation-driven insulators. In order to predict and establish such Hamiltonians for real materials, a variety of first principles ab-initio methods have been developed, based on density functional theory and wavefunction methodologies. In this review, we provide a basic introduction to such methods and the essential concepts of low-energy Hamiltonians, with a focus on their practical capabilities and limitations. We further discuss our recent efforts toward understanding a variety of complex magnetic systems that present unique challenges from the perspective of ab-initio approaches.
@article{arxiv.1811.06553,
title = {$ab$-$initio$ Approaches for Low-Energy Spin Hamiltonians},
author = {Kira Riedl and Ying Li and Roser Valenti and Stephen M. Winter},
journal= {arXiv preprint arXiv:1811.06553},
year = {2019}
}
Comments
Submitted to the SFB/TRR49 special issue of Physica Status Solidi B