Magnetic properties of the low-dimensional BaM2Si2 O7 system (M=Cu, Co, Mn) MAGNETIC PROPERTIES of the LOW-DIMENSIONAL ... G. H. WANG et al.

G. H. Wang; C. Y. Xu; H. B. Cao; T. Hong; Q. Huang; Q. Y. Ren; J. Q. Xu; H. D. Zhou; W. Luo; D. Qian; J. Ma

doi:10.1103/PhysRevB.100.035131

Magnetic properties of the low-dimensional BaM2Si2 O7 system (M=Cu, Co, Mn) MAGNETIC PROPERTIES of the LOW-DIMENSIONAL ... G. H. WANG et al.

G. H. Wang, C. Y. Xu, H. B. Cao, T. Hong, Q. Huang, Q. Y. Ren, J. Q. Xu, H. D. Zhou, W. Luo, D. Qian, J. Ma

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Abstract

We investigated 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 BaMn2Si2O7. 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 BaCo2Si2O7. Furthermore, we performed local-spin density approximation with on-site Coulomb energy (LSDA+U) calculations for the BaM2Si2O7 (M = Cu, Co, and Mn) system. Based on the first-principles calculations, the origin of the magnetic differences of the three materials is discussed.

Original language	English
Article number	035131
Journal	Physical Review B
Volume	100
Issue number	3
DOIs	https://doi.org/10.1103/PhysRevB.100.035131
State	Published - Jul 26 2019

Funding

This work is supported by the National Natural Science Foundation of China (NSFC) with Grants No. 11774223, No. 11474197, No. U1632272, No. 11521404, and No. 11574201. J.M., G.H.W., and H.D.Z. acknowledge the support from the Ministry of Science and Technology of China (Grants No. 2016YFA0300500 and No. 2016YFA0301003). A portion of this research used resources at the High Flux Isotope Reactor, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory. Q.H. acknowledges the support from the GO! Student Program of ORNL. H.D.Z. also acknowledges the support from NSF-DMR with Grant No. NSF-DMR-1350002. D.Q. acknowledges support from the Changjiang Scholars Program. Computations were performed at the HPC of Shanghai Jiao Tong University, China. We also acknowledge Michael Koehler for polishing the manuscript.

Funders	Funder number
Changjiang Scholars Program
Ministry of Science and Technology of China	2016YFA0301003, 2016YFA0300500
NSF-DMR
National Natural Science Foundation of China	U1632272, 11521404, 11474197, 11574201, 11774223

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title = "Magnetic properties of the low-dimensional BaM2Si2 O7 system (M=Cu, Co, Mn) MAGNETIC PROPERTIES of the LOW-DIMENSIONAL ... G. H. WANG et al.",

abstract = "We investigated 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 BaMn2Si2O7. 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 BaCo2Si2O7. Furthermore, we performed local-spin density approximation with on-site Coulomb energy (LSDA+U) calculations for the BaM2Si2O7 (M = Cu, Co, and Mn) system. Based on the first-principles calculations, the origin of the magnetic differences of the three materials is discussed.",

author = "Wang, {G. H.} and Xu, {C. Y.} and Cao, {H. B.} and T. Hong and Q. Huang and Ren, {Q. Y.} and Xu, {J. Q.} and Zhou, {H. D.} and W. Luo and D. Qian and J. Ma",

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doi = "10.1103/PhysRevB.100.035131",

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AU - Wang, G. H.

AU - Xu, C. Y.

AU - Cao, H. B.

AU - Hong, T.

AU - Huang, Q.

AU - Ren, Q. Y.

AU - Xu, J. Q.

AU - Zhou, H. D.

AU - Luo, W.

AU - Qian, D.

AU - Ma, J.

PY - 2019/7/26

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N2 - We investigated 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 BaMn2Si2O7. 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 BaCo2Si2O7. Furthermore, we performed local-spin density approximation with on-site Coulomb energy (LSDA+U) calculations for the BaM2Si2O7 (M = Cu, Co, and Mn) system. Based on the first-principles calculations, the origin of the magnetic differences of the three materials is discussed.

AB - We investigated 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 BaMn2Si2O7. 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 BaCo2Si2O7. Furthermore, we performed local-spin density approximation with on-site Coulomb energy (LSDA+U) calculations for the BaM2Si2O7 (M = Cu, Co, and Mn) system. Based on the first-principles calculations, the origin of the magnetic differences of the three materials is discussed.

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Magnetic properties of the low-dimensional BaM2Si2 O7 system (M=Cu, Co, Mn) MAGNETIC PROPERTIES of the LOW-DIMENSIONAL ... G. H. WANG et al.

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