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Title: Mott transition controlled by lattice-orbital coupling in 3 d -metal-doped double-layer ruthenates

Abstract

We have investigated unusual phase transitions that were triggered by chemical doping in Ca 3Ru 2O 7. Our experiments showed that doping with a few percent of Mn (>4%) can change the quasi-two-dimensional metallic state of Ca 3Ru 2O 7 into a Mott insulating state with a G-type antiferromagnetic order, but this Mott state cannot be induced by Fe doping. By combining these results with first-principles calculations, we show that lattice-orbital coupling (LOC) plays an important role in the Mott transition. Interestingly, the transition temperature T MIT is found to be predetermined by a structural parameter denoted by c/√ab at temperatures far above Néel temperature T N. This LOC-assisted Mott transition clearly contrasts with the band-filling picture. It is addressed that this type of Mott transition originates in the strong scattering centers formed by specific 3d dopants. The dopant-scattering picture is then applied to explain the puzzling doping effects that occur in other ruthenates and 3d oxides. As a result, our findings will advance the general understanding of how the unusual properties of 4d correlated systems are governed by the complex interplay that occurs among the charge, spin, lattice, and orbital degrees of freedom.

Authors:
 [1];  [2];  [2];  [2];  [2];  [3];  [3];  [4];  [5];  [6];  [6];  [6];  [6];  [2];  [2];  [3];  [2]
  1. Nanjing University (China); Tulane University, New Orleans, LA (United States)
  2. Nanjing University (China)
  3. Tulane University, New Orleans, LA (United States)
  4. Chinese Academy of Sciences, Ningbo (China)
  5. Michigan State University, East Lansing, MI (United States)
  6. Chinese Academy of Sciences, Hefei (China)
Publication Date:
Research Org.:
Louisiana State Univ., Baton Rouge, LA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1670445
Alternate Identifier(s):
OSTI ID: 1406653
Grant/Contract Number:  
SC0012432
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 96; Journal Issue: 20; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Antiferromagnetism; Electronic structure; Mott insulators; Ruthenates; Crystal structures; Density functional theory; Neutron diffraction

Citation Formats

Peng, J., Gu, M. Q., Gu, X. M., Zhou, G. T., Gao, X. Y., Liu, J. Y., Xu, W. F., Liu, G. Q., Ke, X., Zhang, L., Han, H., Qu, Z., Fu, D. W., Cai, H. L., Zhang, F. M., Mao, Z. Q., and Wu, X. S. Mott transition controlled by lattice-orbital coupling in 3 d -metal-doped double-layer ruthenates. United States: N. p., 2017. Web. doi:10.1103/physrevb.96.205105.
Peng, J., Gu, M. Q., Gu, X. M., Zhou, G. T., Gao, X. Y., Liu, J. Y., Xu, W. F., Liu, G. Q., Ke, X., Zhang, L., Han, H., Qu, Z., Fu, D. W., Cai, H. L., Zhang, F. M., Mao, Z. Q., & Wu, X. S. Mott transition controlled by lattice-orbital coupling in 3 d -metal-doped double-layer ruthenates. United States. https://doi.org/10.1103/physrevb.96.205105
Peng, J., Gu, M. Q., Gu, X. M., Zhou, G. T., Gao, X. Y., Liu, J. Y., Xu, W. F., Liu, G. Q., Ke, X., Zhang, L., Han, H., Qu, Z., Fu, D. W., Cai, H. L., Zhang, F. M., Mao, Z. Q., and Wu, X. S. Thu . "Mott transition controlled by lattice-orbital coupling in 3 d -metal-doped double-layer ruthenates". United States. https://doi.org/10.1103/physrevb.96.205105. https://www.osti.gov/servlets/purl/1670445.
@article{osti_1670445,
title = {Mott transition controlled by lattice-orbital coupling in 3 d -metal-doped double-layer ruthenates},
author = {Peng, J. and Gu, M. Q. and Gu, X. M. and Zhou, G. T. and Gao, X. Y. and Liu, J. Y. and Xu, W. F. and Liu, G. Q. and Ke, X. and Zhang, L. and Han, H. and Qu, Z. and Fu, D. W. and Cai, H. L. and Zhang, F. M. and Mao, Z. Q. and Wu, X. S.},
abstractNote = {We have investigated unusual phase transitions that were triggered by chemical doping in Ca3Ru2O7. Our experiments showed that doping with a few percent of Mn (>4%) can change the quasi-two-dimensional metallic state of Ca3Ru2O7 into a Mott insulating state with a G-type antiferromagnetic order, but this Mott state cannot be induced by Fe doping. By combining these results with first-principles calculations, we show that lattice-orbital coupling (LOC) plays an important role in the Mott transition. Interestingly, the transition temperature TMIT is found to be predetermined by a structural parameter denoted by c/√ab at temperatures far above Néel temperature TN. This LOC-assisted Mott transition clearly contrasts with the band-filling picture. It is addressed that this type of Mott transition originates in the strong scattering centers formed by specific 3d dopants. The dopant-scattering picture is then applied to explain the puzzling doping effects that occur in other ruthenates and 3d oxides. As a result, our findings will advance the general understanding of how the unusual properties of 4d correlated systems are governed by the complex interplay that occurs among the charge, spin, lattice, and orbital degrees of freedom.},
doi = {10.1103/physrevb.96.205105},
url = {https://www.osti.gov/biblio/1670445}, journal = {Physical Review B},
issn = {2469-9950},
number = 20,
volume = 96,
place = {United States},
year = {2017},
month = {11}
}

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