Honeycomb lattice Na2IrO3 at high pressures: A robust spin-orbit Mott insulator

被引：14

作者：

Xi, Xiaoxiang ^{[1
,2
,3
,4
]}

Bo, Xiangyan ^{[1
,2
,3
]}

Xu, X. S. ^{[5
]}

Kong, P. P. ^{[6
]}

Liu, Z. ^{[7
,8
]}

Hong, X. G. ^{[9
,10
]}

Jin, C. Q. ^{[6
]}

Cao, G. ^{[11
]}

Wan, Xiangang ^{[1
,2
,3
]}

Carr, G. L. ^{[4
]}

机构：

[1] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China

[2] Nanjing Univ, Dept Phys, Nanjing 210093, Jiangsu, Peoples R China

[3] Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China

[4] Brookhaven Natl Lab, Photon Sci, Upton, NY 11973 USA

[5] Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA

[6] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China

[7] George Washington Univ, Inst Mat Sci, Washington, DC 20052 USA

[8] George Washington Univ, Dept Civil & Environm Engn, Washington, DC 20052 USA

[9] SUNY Stony Brook, Mineral Phys Inst, Stony Brook, NY 11794 USA

[10] Ctr High Pressure Sci & Technol Adv Res, Beijing 100094, Peoples R China

[11] Univ Colorado, Dept Phys, Boulder, CO 80309 USA

来源：

PHYSICAL REVIEW B | 2018年 / 98卷 / 12期

基金：

美国国家科学基金会; 国家重点研发计划;

关键词：

PHYSICS; STATE;

D O I：

10.1103/PhysRevB.98.125117

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The honeycomb iridate Na2IrO3 has received much attention as a candidate to realize a quantum spin liquid state, but the nature of its insulating state remains controversial. We found that the material exhibits structural transitions at 3 and 10 GPa. The former is accompanied by 166-meV suppression of the activation gap, but the energies for the low-lying interband transitions change by less than 10 meV. This can be reconciled in a picture in which the application of high pressure barely shifts the electronic bands, but rather merely broadens them. First-principles calculations uncover a strong correlation between the band gap and the beta angle of the monoclinic structure, indicating non-negligible interlayer coupling. These results offer clear evidence for a spin-orbit Mott insulating state in Na2IrO3 and are inconsistent with the quasimolecular orbital model.

引用

页数：6

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