Orbital magneto-optical response of periodic insulators from first principles
Computational Materials 5, 32 (2019)
Orbital magneto-optical response of periodic insulators from first principles
We present a reformulation of the density matrix perturbation theory for time-dependent electromagnetic fields under periodic boundary conditions, which allows us to treat the orbital magneto-optical response of solids at the ab initio level. The efficiency of the computational scheme proposed is comparable to standard linear-response calculations of absorption spectra and the results of tests for molecules and solids agree with the available experimental data. A clear signature of the valley Zeeman effect is revealed in the magneto-optical spectrum of a single layer of hexagonal boron nitride. The present formalism opens the path towards the study of magneto-optical effects in strongly driven low-dimensional systems.
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- Preprint - 3.03 MB
- Doi
- http://dx.doi.org/10.1038/s41524-019-0170-7
- arxiv
- http://arxiv.org/abs/1806.09886
- ISBN
- 2057-3960
- Notes
- We acknowledge the financial support from the European Research Council (ERC-2015-AdG-694097), Grupos Consolidados (IT578-13), European Union's H2020 program under GA no. 646259 (MOSTOPHOS) and no. 676580 (NOMAD) and Spanish Ministry (MINECO)Grant No. FIS2016-79464-P.