Magneto-optical response,i.e.optical response in the presence of a magnetic field,is commonly used for characterization of materials and in optical communications.However,quantum mechanical description of electric and...Magneto-optical response,i.e.optical response in the presence of a magnetic field,is commonly used for characterization of materials and in optical communications.However,quantum mechanical description of electric and magnetic fields in crystals is not straightforward as the position operator is ill defined.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 linearresponse 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 continuum 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.展开更多
基金We acknowledge the financial support from the European Research Council(ERC-2015-AdG-694097)Grupos Consolidados(IT578-13)+2 种基金European Union’s H2020 program under GA no.646259(MOSTOPHOS)no.676580(NOMAD)Spanish Ministry(MINECO)Grant no.FIS2016-79464-P.
文摘Magneto-optical response,i.e.optical response in the presence of a magnetic field,is commonly used for characterization of materials and in optical communications.However,quantum mechanical description of electric and magnetic fields in crystals is not straightforward as the position operator is ill defined.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 linearresponse 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 continuum 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.
