Change of Electronic Structure in Induced by Orbital Ordering
JH Jung, Z Fang, JP He, Y Kaneko, Y Okimoto… - Physical review …, 2003 - APS
JH Jung, Z Fang, JP He, Y Kaneko, Y Okimoto, Y Tokura
Physical review letters, 2003•APSOptical conductivity spectra σ (ω) were used to investigate the effect of orbital ordering on
the electronic structure of C a 2 R u O 4. Our LDA+ U calculation predicts Ru 4 dxy ferro-
orbital ordering at the ground state, and well explains the present σ (ω) as well as the
reported O 1 s x-ray absorption spectra. Variation of temperature (T) causes a large change
of spectral weight over several eV as well as collapse of a charge gap accompanied by
elongation of the c-axis Ru-O bond length. These results clearly indicate that the dxy orbital …
the electronic structure of C a 2 R u O 4. Our LDA+ U calculation predicts Ru 4 dxy ferro-
orbital ordering at the ground state, and well explains the present σ (ω) as well as the
reported O 1 s x-ray absorption spectra. Variation of temperature (T) causes a large change
of spectral weight over several eV as well as collapse of a charge gap accompanied by
elongation of the c-axis Ru-O bond length. These results clearly indicate that the dxy orbital …
Optical conductivity spectra were used to investigate the effect of orbital ordering on the electronic structure of . Our calculation predicts Ru ferro-orbital ordering at the ground state, and well explains the present as well as the reported O x-ray absorption spectra. Variation of temperature () causes a large change of spectral weight over several eV as well as collapse of a charge gap accompanied by elongation of the -axis Ru-O bond length. These results clearly indicate that the orbital ordering plays a crucial role in the metal-insulator transition and the -dependent electronic structure on a large energy scale.
American Physical Society