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Title: Magnetic properties of the low-dimensional Ba M 2 Si 2 O 7 system ( M = Cu ,   Co ,   Mn )

Abstract

Here, we explored the magnetic properties of the low-dimensional Ba M 2 Si 2 O 7 (M = Cu, Co, and Mn) system using both experimental measurements and theoretical calculations. Magnetization, specific heat, and single crystal neutron diffraction measurements have been performed on single crystal Ba M 2 Si 2 O 7 . The spin structure was determined and a magnetic phase diagram with applied field along the b axis was constructed, which contains a spin flop transition around 6 T. Magnetization and specific heat measurements confirmed the presence of weak ferromagnetism in Ba M 2 Si 2 O 7 . Furthermore, we performed local-spin density approximation with on-site Coulomb energy (LSDA+U) calculations for the Ba M 2 Si 2 O 7 (M = Cu, Co, and Mn) system. Due to the first-principles calculations, the origin of the magnetic differences of the three materials is discussed.

Authors:
ORCiD logo [1];  [1]; ORCiD logo [2]; ORCiD logo [2];  [3];  [1];  [1];  [4];  [5];  [5];  [5]
  1. Shanghai Jiao Tong Univ. (China)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Univ. of Tennessee, Knoxville, TN (United States)
  4. Shanghai Jiao Tong Univ. (China); Univ. of Tennessee, Knoxville, TN (United States)
  5. Shanghai Jiao Tong Univ. (China); Collaborative Innovation Center of Advanced Microstructures, Nanjing (China)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE; National Natural Science Foundation of China (NNSFC)
OSTI Identifier:
1566966
Alternate Identifier(s):
OSTI ID: 1545457
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 100; Journal Issue: 3; 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

Citation Formats

Wang, G. H., Xu, C. Y., Cao, Huibo, Hong, Tao, Huang, Q., Ren, Q. Y., Xu, J. Q., Zhou, Haidong, Luo, W., Qian, D., and Ma, J. Magnetic properties of the low-dimensional BaM2Si2O7 system (M=Cu, Co, Mn). United States: N. p., 2019. Web. doi:10.1103/PhysRevB.100.035131.
Wang, G. H., Xu, C. Y., Cao, Huibo, Hong, Tao, Huang, Q., Ren, Q. Y., Xu, J. Q., Zhou, Haidong, Luo, W., Qian, D., & Ma, J. Magnetic properties of the low-dimensional BaM2Si2O7 system (M=Cu, Co, Mn). United States. doi:10.1103/PhysRevB.100.035131.
Wang, G. H., Xu, C. Y., Cao, Huibo, Hong, Tao, Huang, Q., Ren, Q. Y., Xu, J. Q., Zhou, Haidong, Luo, W., Qian, D., and Ma, J. Fri . "Magnetic properties of the low-dimensional BaM2Si2O7 system (M=Cu, Co, Mn)". United States. doi:10.1103/PhysRevB.100.035131.
@article{osti_1566966,
title = {Magnetic properties of the low-dimensional BaM2Si2O7 system (M=Cu, Co, Mn)},
author = {Wang, G. H. and Xu, C. Y. and Cao, Huibo and Hong, Tao and Huang, Q. and Ren, Q. Y. and Xu, J. Q. and Zhou, Haidong and Luo, W. and Qian, D. and Ma, J.},
abstractNote = {Here, we explored the magnetic properties of the low-dimensional BaM2Si2O7 (M = Cu, Co, and Mn) system using both experimental measurements and theoretical calculations. Magnetization, specific heat, and single crystal neutron diffraction measurements have been performed on single crystal BaM2Si2O7. The spin structure was determined and a magnetic phase diagram with applied field along the b axis was constructed, which contains a spin flop transition around 6 T. Magnetization and specific heat measurements confirmed the presence of weak ferromagnetism in BaM2Si2O7. Furthermore, we performed local-spin density approximation with on-site Coulomb energy (LSDA+U) calculations for the BaM2Si2O7 (M = Cu, Co, and Mn) system. Due to the first-principles calculations, the origin of the magnetic differences of the three materials is discussed.},
doi = {10.1103/PhysRevB.100.035131},
journal = {Physical Review B},
number = 3,
volume = 100,
place = {United States},
year = {2019},
month = {7}
}

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Works referenced in this record:

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Inhomogeneous Electron Gas
journal, November 1964


Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965