Magnetic properties of the low-dimensional BaM2Si2O7 system (M=Cu, Co, Mn)

doi:10.1103/PhysRevB.100.035131

This content will become publicly available on July 26, 2020

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:

^[1]; Xu, C. Y. ^[1];

^[2];

^[2]; Huang, Q. ^[3]; Ren, Q. Y. ^[1]; Xu, J. Q. ^[1]; Zhou, Haidong ^[4]; Luo, W. ^[5]; Qian, D. ^[5]; Ma, J. ^[5]

Shanghai Jiao Tong Univ. (China)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of Tennessee, Knoxville, TN (United States)
Shanghai Jiao Tong Univ. (China); Univ. of Tennessee, Knoxville, TN (United States)
Shanghai Jiao Tong Univ. (China); Collaborative Innovation Center of Advanced Microstructures, Nanjing (China)

Publication Date:: 2019-07-26

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.

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                    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.

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                    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.

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@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

Kresse, G.; Furthmüller, J.
Physical Review B, Vol. 54, Issue 16, p. 11169-11186
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Inhomogeneous Electron Gas
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Hohenberg, P.; Kohn, W.
Physical Review, Vol. 136, Issue 3B, p. B864-B871
DOI: 10.1103/PhysRev.136.B864

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

Kohn, W.; Sham, L. J.
Physical Review, Vol. 140, Issue 4A, p. A1133-A1138
DOI: 10.1103/PhysRev.140.A1133

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This content will become publicly available on July 26, 2020

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

Abstract

Citation Formats

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

Title: Magnetic properties of the low-dimensional $Ba M_{2} {Si}_{2} O_{7}$ system $(M = Cu, Co, Mn)$

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