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Infrared reflectivity spectra of cubic SrMnO$_{3}$ ceramics reveal 18 % stiffening of the lowest-frequency phonon below the antiferromagnetic phase transition occurring at T$_{N}$ = 233 K. Such a large temperature change of the polar phonon frequency is extraordinary and we attribute it to an exceptionally strong spin-phonon coupling in this material. This is consistent with our prediction from first principles calculations. Moreover, polar phonons become Raman active below T$_{N}$, although their activation is forbidden by symmetry in $Pmbar{3}m$ space group. This gives evidence that the cubic $Pmbar{3}m$ symmetry is locally broken below T$_{N}$ due to a strong magnetoelectric coupling. Multiphonon and multimagnon scattering is also observed in Raman spectra. Microwave and THz permittivity is strongly influenced by hopping electronic conductivity, which is caused by small non-stoichiometry of the sample. Thermoelectric measurements show room-temperature concentration of free carriers $n_{e}=$3.6 10$^{20}$ cm$^{-3}$ and the sample composition Sr$^{2+}$Mn$_{0.98}^{4+}$Mn$_{0.02}^{3+}$O$_{2.99}^{2-}$. The conductivity exhibits very unusual temperature behavior: THz conductivity increases on cooling, while the static conductivity markedly decreases on cooling. We attribute this to different conductivity of the ceramic grains and grain boundaries.
Nickel oxide (NiO) has been studied extensively for various applications ranging from electrochemistry to solar cells [1,2]. In recent years, NiO attracted much attention as an antiferromagnetic (AF) insulator material for spintronic devices [3-10].
Orhorhombic $alpha$-MoO$_3$ is a layered oxide with various applications and with excellent potential to be exfoliated as a 2D ultrathin film or monolayer. In this paper, we present a first-principles computational study of its vibrational properties
Spin-orbit coupling (SOC) is essential in understanding the properties of 5d transition metal compounds, whose SOC value is large and almost comparable to other key parameters. Over the past few years, there have been numerous studies on the SOC-driv
We measured the temperature dependent infrared reflectivity spectra of TbMnO3 with the electric field of light polarized along each of the three crystallographic axes. We analyzed the effect, on the phonon spectra, of the different phase transitions
Using a density-functional based algorithm, the full IR and Raman spectra are calculated for the neutral Ti_8C_12 cluster assuming geometries of Th, Td, D2d and C3v symmetry. The Th pentagonal dodecahedron is found to be dynamically unstable. The cal