Polar phonons and intrinsic dielectric response of the ferromagnetic insulating spinel CdCr${}_2$S${}_4$ from first principles

Abstract

We have studied the dielectric properties of the ferromagnetic spinel CdCr${}_2$S${}_4$ from first principles. Zone-center phonons and Born effective charges were calculated by frozen-phonon and Berry phase techniques within LSDA+U. We find that all infrared-active phonons are quite stable within the cubic space group. The calculated static dielectric constant agrees well with previous measurements. These results suggest that the recently observed anomalous dielectric behavior in CdCr${}_2$S${}_4$ is not due to the softening of a polar mode. We suggest further experiments to clarify this point.

References in corpus (10)

• First-principles study of spontaneous polarization in multiferroic BiFeO${}_3$
• Weak ferromagnetism and magnetoelectric coupling in bismuth ferrite
• Relaxor ferroelectricity and colossal magnetocapacitive coupling in ferromagnetic CdCr2S4
• The ferroelectric transition in YMnO${}_3$ from first principles
• Extrinsic models for the dielectric response of CaCu{3}Ti{4}O{12}
• Ab-initio prediction of a new multiferroic with large polarization and magnetization
• Lattice Dynamics in PMN
• Unusual Low-Energy Phonon Dynamics in the Negative Thermal Expansion Compound ZrW2O8
• Relaxation dynamics and colossal magnetocapacitive effect in CdCr2S4
• Ab initio linear response and frozen phonons for the relaxor PMN (PbMg1/3Nb2/3O3)

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