Change of electronic structure in Ca2RuO4 induced by orbital ordering

被引：88

作者：

Jung, JH ^{[1
]}

Fang, Z

He, JP

Kaneko, Y

Okimoto, Y

Tokura, Y

机构：

[1] Japan Sci & Technol Corp, ERATO, Spin Superstruct Project, Tsukuba, Ibaraki 3058562, Japan

[2] Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China

[3] Natl Inst Adv Ind Sci & Technol, CERC, Tsukuba, Ibaraki 3050046, Japan

[4] Univ Tokyo, Dept Appl Phys, Tokyo 1138656, Japan

来源：

PHYSICAL REVIEW LETTERS | 2003年 / 91卷 / 05期

关键词：

D O I：

10.1103/PhysRevLett.91.056403

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Optical conductivity spectra sigma(omega) were used to investigate the effect of orbital ordering on the electronic structure of Ca2RuO4. Our LDA+U calculation predicts Ru 4d(xy) ferro-orbital ordering at the ground state, and well explains the present sigma(omega) as well as the reported O 1s 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 d(xy) orbital ordering plays a crucial role in the metal-insulator transition and the T-dependent electronic structure on a large energy scale.

引用

页数：4

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