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

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.

doi:10.1103/PhysRevB.100.035131

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 (NSFC)

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.  https://doi.org/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.  https://doi.org/10.1103/PhysRevB.100.035131.  https://www.osti.gov/servlets/purl/1566966.

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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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Figures / Tables:

FIG. 1: Schematic crystalline structures for (a) BaCu₂Si₂O₇ and (b) BaM₂Si₂O₇ (M = Mn and Co)

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

Abstract

Citation Formats

Figures / Tables:

BaCu 2 Si 2 O 7 : A quasi-one-dimensional S = 1 / 2 antiferromagnetic chain system journal, September 1999

Magnetization Curve at Zero Temperature for the Antiferromagnetic Heisenberg Linear Chain journal, February 1964

Energy Separation of Single-Particle and Continuum States in an S = 1 / 2 Weakly Coupled Chains Antiferromagnet journal, November 2000

Absence of Ferromagnetism or Antiferromagnetism in One- or Two-Dimensional Isotropic Heisenberg Models journal, November 1966

Multiple spin-flop phase diagram of BaCu 2 Si 2 O 7 journal, February 2011

Zur Theorie des Ferromagnetismus journal, September 1928

Linear Magnetic Chains with Anisotropic Coupling journal, August 1964

Spin-1/2 Quantum Antiferromagnetic Chains with Tunable Superexchange Interactions Found in BaCu2(Si1−xGex)2O7 journal, January 2001

One-dimensional magnetic interaction in BaMn2Si2O7 journal, March 2000

Magnetic phase transition in the low-dimensional compound BaMn 2 Si 2 O 7 journal, October 2013

Syntheses, Structural Analyses, and Unusual Magnetic Properties of Ba 2 CoSi 2 O 7 and BaCo 2 Si 2 O 7 journal, January 1996

Structure of multiple spin-flop states in BaCu 2 Si 2 O 7 journal, April 2002

Magnetic Excitations in CoO journal, August 2006

Recent advances in magnetic structure determination by neutron powder diffraction journal, October 1993

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

Magnetic anisotropy of BaCu 2 Si 2 O 7 : Theory and antiferromagnetic resonance journal, November 2002

Four-circle single-crystal neutron diffractometer at the High Flux Isotope Reactor journal, May 2011

Two-Stage Spin-Flop Transitions in the S = 1 / 2 Antiferromagnetic Spin Chain BaCu 2 Si 2 O 7 journal, August 2001

Inhomogeneous Electron Gas journal, November 1964

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators journal, August 1995

Monte-Carlo study of correlations in quantum spin chains at non-zero temperature journal, August 1998

Spin-Peierls transitions in magnetic donor-acceptor compounds of tetrathiafulvalene (TTF) with bisdithiolene metal complexes journal, October 1976

Magnetic phase diagram and structure of the magnetic phases in the quasi-one-dimensional antiferromagnet BaCu 2 Si 2 O 7 : A symmetry analysis journal, June 2004

Ab initio study of magnetic coupling in CaCu 3 B 4 O 12 ( B = Ti , Ge, Zr, and Sn) journal, June 2013

Polarization dependence of spin excitations in BaCu 2 Si 2 O 7 journal, April 2003

BaCo2Si2O7: A new one-dimensional antiferromagnet based on chains of oxide bridged CoO4 tetrahedra journal, August 1993

One-Dimensional Heisenberg Model at Finite Temperature journal, August 1971

Theory of Ionic Ordering, Crystal Distortion, and Magnetic Exchange Due to Covalent Forces in Spinels journal, April 1955

An interpretation of the magnetic properties of the perovskite-type mixed crystals La1−xSrxCoO3−λ journal, August 1958

Superexchange interaction and symmetry properties of electron orbitals journal, July 1959

Linear-Chain Antiferromagnetism in [ ( C H 3 ) 4 N] [Mn Cl 3 ] journal, November 1969

Exchange integrals and magnetization distribution in BaCu 2 X 2 O 7 ( X = Ge , Si ) journal, June 2006

Susceptibility of the spin 1/2 Heisenberg antiferromagnetic chain journal, July 1994

Spin waves and magnetic ordering in the quasi-one-dimensional S = 1 2 antiferromagnet BaCu 2 Si 2 O 7 journal, July 2001

Magnetodielectric effects in low-dimensional cobalt oxides journal, April 2008

Spin waves in MnO; from 4°K to temperatures close to TN journal, January 1974

Beitrag zur Theorie des Ferromagnetismus journal, February 1925

Spin dynamics in the quasi-one-dimensional S = 1 2 antiferromagnet BaCu 2 Si 2 O 7 journal, November 2001

New Approach to the Theory of Superexchange Interactions journal, July 1959

One-Dimensional Anisotropic Heisenberg Model at Finite Temperatures journal, December 1972

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

Zur Theorie des Ferromagnetismus journal, March 1930

Inhomogeneous Electron Gas journal, March 1973

Absence of Ferromagnetism or Antiferromagnetism in One- or Two-Dimensional Isotropic Heisenberg Models journal, December 1966

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

${BaCu}_{2} {Si}_{2} O_{7}$ : A quasi-one-dimensional $S = 1 / 2$ antiferromagnetic chain system
journal, September 1999

Magnetization Curve at Zero Temperature for the Antiferromagnetic Heisenberg Linear Chain
journal, February 1964

Energy Separation of Single-Particle and Continuum States in an $S = 1 / 2$ Weakly Coupled Chains Antiferromagnet
journal, November 2000

Absence of Ferromagnetism or Antiferromagnetism in One- or Two-Dimensional Isotropic Heisenberg Models
journal, November 1966

Multiple spin-flop phase diagram of BaCu ₂ Si ₂ O ₇
journal, February 2011

Zur Theorie des Ferromagnetismus
journal, September 1928

Linear Magnetic Chains with Anisotropic Coupling
journal, August 1964

Spin-1/2 Quantum Antiferromagnetic Chains with Tunable Superexchange Interactions Found in BaCu2(Si1−xGex)2O7
journal, January 2001

One-dimensional magnetic interaction in BaMn2Si2O7
journal, March 2000

Magnetic phase transition in the low-dimensional compound BaMn $_{2}$ Si $_{2}$ O $_{7}$
journal, October 2013

Syntheses, Structural Analyses, and Unusual Magnetic Properties of Ba ₂ CoSi ₂ O ₇ and BaCo ₂ Si ₂ O ₇
journal, January 1996

Structure of multiple spin-flop states in ${BaCu}_{2} {Si}_{2} O_{7}$
journal, April 2002

Magnetic Excitations in CoO
journal, August 2006

Recent advances in magnetic structure determination by neutron powder diffraction
journal, October 1993

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

Magnetic anisotropy of ${BaCu}_{2} {Si}_{2} O_{7} :$ Theory and antiferromagnetic resonance
journal, November 2002

Four-circle single-crystal neutron diffractometer at the High Flux Isotope Reactor
journal, May 2011

Two-Stage Spin-Flop Transitions in the $S = 1 / 2$ Antiferromagnetic Spin Chain ${BaCu}_{2} {Si}_{2} O_{7}$
journal, August 2001

Inhomogeneous Electron Gas
journal, November 1964

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
journal, August 1995

Monte-Carlo study of correlations in quantum spin chains at non-zero temperature
journal, August 1998

Spin-Peierls transitions in magnetic donor-acceptor compounds of tetrathiafulvalene (TTF) with bisdithiolene metal complexes
journal, October 1976

Magnetic phase diagram and structure of the magnetic phases in the quasi-one-dimensional antiferromagnet ${BaCu}_{2} {Si}_{2} O_{7}$ : A symmetry analysis
journal, June 2004

Ab initio study of magnetic coupling in CaCu $_{3}$ $B_{4}$ O $_{12}$ ( $B = Ti$ , Ge, Zr, and Sn)
journal, June 2013

Polarization dependence of spin excitations in ${BaCu}_{2} {Si}_{2} O_{7}$
journal, April 2003

BaCo2Si2O7: A new one-dimensional antiferromagnet based on chains of oxide bridged CoO4 tetrahedra
journal, August 1993

One-Dimensional Heisenberg Model at Finite Temperature
journal, August 1971

Theory of Ionic Ordering, Crystal Distortion, and Magnetic Exchange Due to Covalent Forces in Spinels
journal, April 1955

An interpretation of the magnetic properties of the perovskite-type mixed crystals La1−xSrxCoO3−λ
journal, August 1958

Superexchange interaction and symmetry properties of electron orbitals
journal, July 1959

Linear-Chain Antiferromagnetism in [ ${(C H_{3})}_{4}$ N] [Mn ${Cl}_{3}$ ]
journal, November 1969

Exchange integrals and magnetization distribution in ${BaCu}_{2} X_{2} O_{7} (X = Ge, Si)$
journal, June 2006

Susceptibility of the spin 1/2 Heisenberg antiferromagnetic chain
journal, July 1994

Spin waves and magnetic ordering in the quasi-one-dimensional $S = \frac{1}{2}$ antiferromagnet ${BaCu}_{2} {Si}_{2} O_{7}$
journal, July 2001

Magnetodielectric effects in low-dimensional cobalt oxides
journal, April 2008

Spin waves in MnO; from 4°K to temperatures close to TN
journal, January 1974

Beitrag zur Theorie des Ferromagnetismus
journal, February 1925

Spin dynamics in the quasi-one-dimensional $S = \frac{1}{2}$ antiferromagnet ${BaCu}_{2} {Si}_{2} O_{7}$
journal, November 2001

New Approach to the Theory of Superexchange Interactions
journal, July 1959

One-Dimensional Anisotropic Heisenberg Model at Finite Temperatures
journal, December 1972

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

Zur Theorie des Ferromagnetismus
journal, March 1930

Inhomogeneous Electron Gas
journal, March 1973

Absence of Ferromagnetism or Antiferromagnetism in One- or Two-Dimensional Isotropic Heisenberg Models
journal, December 1966