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Register a new userEffects of Anisotropic Charge on Transverse Optical Phonons in NiO
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Phonon dispersion of detwinned NiO is measured using inelastic x-ray scattering. It is found that, near the zone center, the energy of the transverse optical phonon mode polarized parallel to the antiferromagnetic order is ~1 meV lower than that of the mode polarized perpendicular to the order, at room temperature. This is explained via anisotropic polarization of the Ni and O atoms, as confirmed using a Berrys phase approach with first-principles calculations. Our explanation avoids an apparent contradiction in previous discussions focusing on Heisenberg interaction.
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