Optical properties and Raman scattering of vanadium ladder compounds

Details Optical properties and Raman scattering of vanadium ladder compounds Optical properties and Raman scattering of vanadium ladder compounds

2004-01-23

arxiv.org/abs/cond-mat/0401458v1

Physica Scripta T109, 159 (2004)

Physics

Condensed Matter

Other Condensed Matter

4 pages, 5 figures, .bbl file with references included. Accepted for publication in Physica Scripta

Scientific paper

10.1238/Physica.Topical.109a0015

We investigate electronic and optical properties of the V-based ladder compounds NaV2O5, the iso-structural CaV2O5, as well as MgV2O5, which differs from NaV2O5 and CaV2O5 in the c axis stacking. We calculate ab initio the A_g phonon modes in these compounds as a basis for the investigation of the electron-phonon and spin-phonon coupling. The phonon modes together with the dielectric tensors as a function of the corresponding ion displacements are the starting point for the calculation of the A_g Raman scattering.

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