Electronic structure of the kagome staircase compounds Ni3V2O8 and Co3V2O8

被引：33

作者：

Laverock, J. ^{[1
]}

Chen, B. ^{[1
]}

Preston, A. R. H. ^{[1
]}

Smith, K. E. ^{[1
]}

Wilson, N. R. ^{[2
]}

Balakrishnan, G. ^{[2
]}

Glans, P. -A. ^{[3
]}

Guo, J. -H. ^{[3
]}

机构：

[1] Boston Univ, Dept Phys, Boston, MA 02215 USA

[2] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England

[3] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA

来源：

PHYSICAL REVIEW B | 2013年 / 87卷 / 12期

基金：

英国工程与自然科学研究理事会;

关键词：

TRANSITION-METAL MONOXIDES; X-RAY-SCATTERING; BAND THEORY;

D O I：

10.1103/PhysRevB.87.125133

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structure of the kagome staircase compounds, Ni3V2O8 and Co3V2O8, has been investigated using soft x-ray absorption, soft x-ray emission, and resonant inelastic x-ray scattering. Comparison between the two compounds, and with first-principles band structure calculations and crystal-field multiplet models, provides unique insight into the electronic structure of the two materials. Whereas the location of the narrow (Ni, Co) d bands is predicted to be close to E-F, we experimentally find they lie deeper in the occupied O 2p and unoccupied V 3d manifolds, and determine their energy via measured charge-transfer excitations. Additionally, we find evidence for a dd excitation at 1.5 eV in Ni3V2O8, suggesting the V d states may be weakly occupied in this compound, contrary to Co3V2O8. Good agreement is found between the crystal-field dd excitations observed in the experiment and those predicted by atomic multiplet theory. DOI: 10.1103/PhysRevB.87.125133

引用

页数：10

共 31 条

[1] Resonant inelastic x-ray scattering studies of elementary excitations [J].