Effects of Anisotropic Charge on Transverse Optical Phonons in NiO

Details Effects of Anisotropic Charge on Transverse Optical Phonons in NiO Effects of Anisotropic Charge on Transverse Optical Phonons in NiO

2010-06-28

arxiv.org/abs/1006.5279v1

Phys. Rev. B, 81, 241103(R), 2010

Physics

Condensed Matter

Strongly Correlated Electrons

4 pages, 3 figures

Scientific paper

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 Berry's phase approach with first-principles calculations. Our explanation avoids an apparent contradiction in previous discussions focusing on Heisenberg interaction.

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