Magnetic properties of the lowdimensional $\mathrm{Ba}{M}_{2}{\mathrm{Si}}_{2}{\mathrm{O}}_{7}$ system $(M=\mathrm{Cu},\mathrm{Co},\mathrm{Mn})$
Abstract
Here, we explored the magnetic properties of the lowdimensional $\mathrm{Ba}{M}_{2}{\mathrm{Si}}_{2}{\mathrm{O}}_{7}$ (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 $\mathrm{Ba}{M}_{2}{\mathrm{Si}}_{2}{\mathrm{O}}_{7}$. 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 $\mathrm{Ba}{M}_{2}{\mathrm{Si}}_{2}{\mathrm{O}}_{7}$. Furthermore, we performed localspin density approximation with onsite Coulomb energy (LSDA+U) calculations for the $\mathrm{Ba}{M}_{2}{\mathrm{Si}}_{2}{\mathrm{O}}_{7}$ (M = Cu, Co, and Mn) system. Due to the firstprinciples calculations, the origin of the magnetic differences of the three materials is discussed.
 Authors:

 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:
 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:
 AC0500OR22725
 Resource Type:
 Accepted Manuscript
 Journal Name:
 Physical Review B
 Additional Journal Information:
 Journal Volume: 100; Journal Issue: 3; Journal ID: ISSN 24699950
 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 lowdimensional 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 lowdimensional 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 lowdimensional BaM2Si2O7 system (M=Cu, Co, Mn)". United States. doi:10.1103/PhysRevB.100.035131. https://www.osti.gov/servlets/purl/1566966.
@article{osti_1566966,
title = {Magnetic properties of the lowdimensional 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 lowdimensional 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 localspin density approximation with onsite Coulomb energy (LSDA+U) calculations for the BaM2Si2O7 (M = Cu, Co, and Mn) system. Due to the firstprinciples 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}
}
Web of Science
Works referenced in this record:
${\mathrm{BaCu}}_{2}{\mathrm{Si}}_{2}{\mathrm{O}}_{7}$ : A quasionedimensional $S=1/2\mathrm{}$ antiferromagnetic chain system
journal, September 1999
 Tsukada, I.; Sasago, Y.; Uchinokura, K.
 Physical Review B, Vol. 60, Issue 9
Magnetization Curve at Zero Temperature for the Antiferromagnetic Heisenberg Linear Chain
journal, February 1964
 Griffiths, Robert B.
 Physical Review, Vol. 133, Issue 3A
Energy Separation of SingleParticle and Continuum States in an $\mathit{S}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}1\mathrm{}/2$ Weakly Coupled Chains Antiferromagnet
journal, November 2000
 Zheludev, A.; Kenzelmann, M.; Raymond, S.
 Physical Review Letters, Vol. 85, Issue 22
Absence of Ferromagnetism or Antiferromagnetism in One or TwoDimensional Isotropic Heisenberg Models
journal, November 1966
 Mermin, N. D.; Wagner, H.
 Physical Review Letters, Vol. 17, Issue 22
Multiple spinflop phase diagram of BaCu _{2} Si _{2} O _{7}
journal, February 2011
 Glazkov, V. N.; Dhalenne, G.; Revcolevschi, A.
 Journal of Physics: Condensed Matter, Vol. 23, Issue 8
Zur Theorie des Ferromagnetismus
journal, September 1928
 Heisenberg, W.
 Zeitschrift f�r Physik, Vol. 49, Issue 910
Linear Magnetic Chains with Anisotropic Coupling
journal, August 1964
 Bonner, Jill C.; Fisher, Michael E.
 Physical Review, Vol. 135, Issue 3A
Spin1/2 Quantum Antiferromagnetic Chains with Tunable Superexchange Interactions Found in BaCu2(Si1−xGex)2O7
journal, January 2001
 Yamada, T.; Hiroi, Z.; Takano, M.
 Journal of Solid State Chemistry, Vol. 156, Issue 1
Onedimensional magnetic interaction in BaMn2Si2O7
journal, March 2000
 Lu, G. X.; Yang, L. Q.; Lin, J. H.
 Solid State Communications, Vol. 114, Issue 2
Magnetic phase transition in the lowdimensional compound BaMn ${}_{2}$ Si ${}_{2}$ O ${}_{7}$
journal, October 2013
 Ma, J.; Dela Cruz, C. D.; Hong, Tao
 Physical Review B, Vol. 88, Issue 14
Syntheses, Structural Analyses, and Unusual Magnetic Properties of Ba _{2} CoSi _{2} O _{7} and BaCo _{2} Si _{2} O _{7}
journal, January 1996
 Adams, Richard D.; Payen, Christophe; Datta, Timir
 Inorganic Chemistry, Vol. 35, Issue 12
Structure of multiple spinflop states in ${\mathrm{BaCu}}_{2}{\mathrm{Si}}_{2}{\mathrm{O}}_{7}$
journal, April 2002
 Zheludev, A.; Ressouche, E.; Tsukada, I.
 Physical Review B, Vol. 65, Issue 17
Magnetic Excitations in CoO
journal, August 2006
 Tomiyasu, Keisuke; Itoh, Shinichi
 Journal of the Physical Society of Japan, Vol. 75, Issue 8
Recent advances in magnetic structure determination by neutron powder diffraction
journal, October 1993
 RodríguezCarvajal, Juan
 Physica B: Condensed Matter, Vol. 192, Issue 12
Efficient iterative schemes for ab initio totalenergy calculations using a planewave basis set
journal, October 1996
 Kresse, G.; Furthmüller, J.
 Physical Review B, Vol. 54, Issue 16, p. 1116911186
Magnetic anisotropy of ${\mathrm{BaCu}}_{2}{\mathrm{Si}}_{2}{\mathrm{O}}_{7}:$ Theory and antiferromagnetic resonance
journal, November 2002
 Hayn, R.; Pashchenko, V. A.; Stepanov, A.
 Physical Review B, Vol. 66, Issue 18
Fourcircle singlecrystal neutron diffractometer at the High Flux Isotope Reactor
journal, May 2011
 Chakoumakos, Bryan C.; Cao, Huibo; Ye, Feng
 Journal of Applied Crystallography, Vol. 44, Issue 3
TwoStage SpinFlop Transitions in the $\mathit{S}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}1\mathrm{}/2$ Antiferromagnetic Spin Chain ${\mathrm{BaCu}}_{2}{\mathrm{Si}}_{2}{O}_{7}$
journal, August 2001
 Tsukada, I.; Takeya, J.; Masuda, T.
 Physical Review Letters, Vol. 87, Issue 12
Inhomogeneous Electron Gas
journal, November 1964
 Hohenberg, P.; Kohn, W.
 Physical Review, Vol. 136, Issue 3B, p. B864B871
Densityfunctional theory and strong interactions: Orbital ordering in MottHubbard insulators
journal, August 1995
 Liechtenstein, A. I.; Anisimov, V. I.; Zaanen, J.
 Physical Review B, Vol. 52, Issue 8
MonteCarlo study of correlations in quantum spin chains at nonzero temperature
journal, August 1998
 Kim, Y. J.; Greven, M.; Wiese, U. J.
 The European Physical Journal B, Vol. 4, Issue 3
SpinPeierls transitions in magnetic donoracceptor compounds of tetrathiafulvalene (TTF) with bisdithiolene metal complexes
journal, October 1976
 Jacobs, I. S.; Bray, J. W.; Hart, H. R.
 Physical Review B, Vol. 14, Issue 7
Magnetic phase diagram and structure of the magnetic phases in the quasionedimensional antiferromagnet ${\text{BaCu}}_{2}{\text{Si}}_{2}{\mathrm{O}}_{7}$ : A symmetry analysis
journal, June 2004
 Glazkov, V.; Krug von Nidda, H. A.
 Physical Review B, Vol. 69, Issue 21
Ab initio study of magnetic coupling in CaCu ${}_{3}$ ${B}_{4}$ O ${}_{12}$ ( $B=\text{Ti}$ , Ge, Zr, and Sn)
journal, June 2013
 Toyoda, Masayuki; Yamauchi, Kunihiko; Oguchi, Tamio
 Physical Review B, Vol. 87, Issue 22
Polarization dependence of spin excitations in ${\mathrm{BaCu}}_{2}{\mathrm{Si}}_{2}{\mathrm{O}}_{7}$
journal, April 2003
 Zheludev, A.; Raymond, S.; Regnault, L. P.
 Physical Review B, Vol. 67, Issue 13
BaCo2Si2O7: A new onedimensional antiferromagnet based on chains of oxide bridged CoO4 tetrahedra
journal, August 1993
 Adams, Richard D.; Layland, Ralph; Datta, Timir
 Polyhedron, Vol. 12, Issue 16
OneDimensional Heisenberg Model at Finite Temperature
journal, August 1971
 Takahashi, Minoru
 Progress of Theoretical Physics, Vol. 46, Issue 2
Theory of Ionic Ordering, Crystal Distortion, and Magnetic Exchange Due to Covalent Forces in Spinels
journal, April 1955
 Goodenough, J. B.; Loeb, A. L.
 Physical Review, Vol. 98, Issue 2
An interpretation of the magnetic properties of the perovskitetype mixed crystals La1−xSrxCoO3−λ
journal, August 1958
 Goodenough, John B.
 Journal of Physics and Chemistry of Solids, Vol. 6, Issue 23
Superexchange interaction and symmetry properties of electron orbitals
journal, July 1959
 Kanamori, Junjiro
 Journal of Physics and Chemistry of Solids, Vol. 10, Issue 23
LinearChain Antiferromagnetism in [ ${\left(\mathrm{C}{\mathrm{H}}_{3}\right)}_{4}$ N] [Mn ${\mathrm{Cl}}_{3}$ ]
journal, November 1969
 Dingle, R.; Lines, M. E.; Holt, S. L.
 Physical Review, Vol. 187, Issue 2
Exchange integrals and magnetization distribution in ${\mathrm{BaCu}}_{2}{X}_{2}{\mathrm{O}}_{7}\phantom{\rule{0.3em}{0ex}}(X=\mathrm{Ge},\mathrm{Si})$
journal, June 2006
 Bertaina, S.; Hayn, R.
 Physical Review B, Vol. 73, Issue 21
Susceptibility of the spin 1/2 Heisenberg antiferromagnetic chain
journal, July 1994
 Eggert, Sebastian; Affleck, Ian; Takahashi, Minoru
 Physical Review Letters, Vol. 73, Issue 2
Spin waves and magnetic ordering in the quasionedimensional $S=\frac{1}{2}$ antiferromagnet ${\mathrm{BaCu}}_{2}{\mathrm{Si}}_{2}{\mathrm{O}}_{7}$
journal, July 2001
 Kenzelmann, M.; Zheludev, A.; Raymond, S.
 Physical Review B, Vol. 64, Issue 5
Magnetodielectric effects in lowdimensional cobalt oxides
journal, April 2008
 Akaki, M.; Nakamura, F.; Akahoshi, D.
 Physica B: Condensed Matter, Vol. 403, Issue 59
Spin waves in MnO; from 4°K to temperatures close to TN
journal, January 1974
 Pepy, G.
 Journal of Physics and Chemistry of Solids, Vol. 35, Issue 3
Beitrag zur Theorie des Ferromagnetismus
journal, February 1925
 Ising, Ernst
 Zeitschrift für Physik, Vol. 31, Issue 1
Spin dynamics in the quasionedimensional $S=\frac{1}{2}$ antiferromagnet ${\mathrm{BaCu}}_{2}{\mathrm{Si}}_{2}{\mathrm{O}}_{7}$
journal, November 2001
 Zheludev, A.; Kenzelmann, M.; Raymond, S.
 Physical Review B, Vol. 65, Issue 1
New Approach to the Theory of Superexchange Interactions
journal, July 1959
 Anderson, P. W.
 Physical Review, Vol. 115, Issue 1
OneDimensional Anisotropic Heisenberg Model at Finite Temperatures
journal, December 1972
 Takahashi, Minoru; Suzuki, Masuo
 Progress of Theoretical Physics, Vol. 48, Issue 6
SelfConsistent Equations Including Exchange and Correlation Effects
journal, November 1965
 Kohn, W.; Sham, L. J.
 Physical Review, Vol. 140, Issue 4A, p. A1133A1138
Zur Theorie des Ferromagnetismus
journal, March 1930
 Bloch, F.
 Zeitschrift f�r Physik, Vol. 61, Issue 34
Inhomogeneous Electron Gas
journal, March 1973
 Rajagopal, A. K.; Callaway, J.
 Physical Review B, Vol. 7, Issue 5