Long-range interactions in the effective low-energy Hamiltonian of Sr2IrO4: A core-to-core resonant inelastic x-ray scattering study

被引：21

作者：

Agrestini, S. ^{[1
]}

Kuo, C. -Y. ^{[1
]}

Sala, M. Moretti ^{[2
]}

Hu, Z. ^{[1
]}

Kasinathan, D. ^{[1
]}

Ko, K. -T. ^{[1
,3
,4
]}

Glatzel, P. ^{[2
]}

Rossi, M. ^{[2
]}

Cafun, J. -D. ^{[2
]}

Kvashnina, K. O. ^{[2
,10
]}

Matsumoto, A. ^{[5
,6
]}

Takayama, T. ^{[5
,6
,7
]}

Takagi, H. ^{[5
,6
,7
,8
]}

Tjeng, L. H. ^{[1
]}

Haverkort, M. W. ^{[1
,9
]}

机构：

[1] Max Planck Inst Chem Phys Solids, Nothnitzerstr 40, D-01187 Dresden, Germany

[2] ESRF, 71 Ave Martyrs, F-38000 Grenoble, France

[3] Pohang Univ Sci & Technol, MPPC CPM, Pohang 790784, South Korea

[4] Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea

[5] Univ Tokyo, Dept Phys, 7-3-1 Hongo, Tokyo 1130033, Japan

[6] Univ Tokyo, Dept Adv Mat, 7-3-1 Hongo, Tokyo 1130033, Japan

[7] Max Planck Inst Solid State Res, Heisenbergstr 1, D-70569 Stuttgart, Germany

[8] Univ Stuttgart, Inst Funct Matter & Quantum Technol, Pfaffenwaldring 57, D-70569 Stuttgart, Germany

[9] Heidelberg Univ, Inst Theoret Phys, Philosophenweg 19, D-69120 Heidelberg, Germany

[10] HZDR, Inst Resource Ecol, POB 510119, D-01314 Dresden, Germany

来源：

PHYSICAL REVIEW B | 2017年 / 95卷 / 20期

关键词：

ABSORPTION;

D O I：

10.1103/PhysRevB.95.205123

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have investigated the electronic structure of Sr2IrO4 using core-to-core resonant inelastic x-ray scattering. The experimental spectra can be well reproduced using ab initio density functional theory based multiplet ligand field theory calculations, thereby validating these calculations. We found that the low-energy, effective Ir t(2g) orbitals are practically degenerate in their crystal-field energy. We uncovered that Sr2IrO4 and iridates in general are negative charge transfer systems with large covalency and a substantial oxygen ligand hole character in the Ir t(2g) Wannier orbitals. This has far reaching consequences, as not only the on-site crystal-field energies are determined by the long-range crystal structure, but, more significantly, magnetic exchange interactions will have long-range distance dependent anisotropies in the spin direction. These findings set constraints and show pathways for the design of d(5) materials that can host compasslike magnetic interactions.

引用

页数：7

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