Quasi-one-dimensional magnetism in the spin-12 antiferromagnet BaNa2Cu(VO4)2

Sebastian, Sebin J.; Somesh, K.; Nandi, M.; Ahmed, N.; Bag, P.; Baenitz, M.; Koo, B.; Sichelschmidt, J.; Tsirlin, A. A.; Furukawa, Y.; Nath, R.

doi:10.1103/physrevb.103.064413

Title: Quasi-one-dimensional magnetism in the spin-12 antiferromagnet BaNa₂Cu(VO₄)₂

Abstract

Here, we report synthesis and magnetic properties of quasi-one-dimensional spin- $\frac{1}{2}$ Heisenberg antiferromagnetic chain compound ${BaNa}_{2} Cu {({VO}_{4})}_{2}$ . This orthovanadate has a centrosymmetric crystal structure, $C 2 / c$ , where the magnetic ${Cu}^{2 +}$ ions form spin chains. These chains are arranged in layers, with the chain direction changing by $62^{°}$ between the two successive layers. Alternatively, the spin lattice can be viewed as anisotropic triangular layers upon taking the interchain interactions into consideration. Despite this potential structural complexity, temperature-dependent magnetic susceptibility, heat capacity, electron spin resonance intensity, and nuclear magnetic resonance (NMR) shift agree well with the uniform spin- $1 / 2$ Heisenberg chain model with an intrachain coupling of $J / k_{B} ≃ 5.6$ K. The saturation field obtained from the magnetic isotherm measurement consistently reproduces the value of $J / k_{B}$ . Further, the ${}_{51}V$ NMR spin-lattice relaxation rate mimics the one-dimensional character in the intermediate temperature range, whereas magnetic long-range order sets in below $T_{N} ≃ 0.25$ K. The effective interchain coupling is estimated to be $J_{⊥} / k_{B} ≃ 0.1$ K. The theoretical estimation of exchange couplings using band-structure calculations reciprocate our experimental findings and unambiguously establish the one-dimensional character of the compound. Finally, the spin lattice of ${BaNa}_{2} Cu {({VO}_{4})}_{2}$ is compared with the chemically similar but not isostructural compound ${BaAg}_{2} Cu {({VO}_{4})}_{2}$ .

Authors:

^[1]; Somesh, K. ^[1]; Nandi, M. ^[2]; Ahmed, N. ^[1]; Bag, P. ^[1]; Baenitz, M. ^[3];

^[3];

^[4];

^[2];

^[1]

Indian Inst. of Science Education and Research Thiruvananthapuram (India)
Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
Max Planck Inst. for Chemical Physics of Solids, Dresden (Germany)
Univ. of Augsburg (Germany)

Publication Date:: Mon Feb 08 00:00:00 EST 2021

Research Org.:: Ames Lab., Ames, IA (United States)

Sponsoring Org.:: Science and Engineering Research Board (SERB); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; Alexander von Humboldt Foundation

OSTI Identifier:: 1764840

Report Number(s):: IS-J-10,411
Journal ID: ISSN 2469-9950; TRN: US2206211

Grant/Contract Number:: CRG/2019/000960; AC02-07CH11358

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 103; Journal Issue: 6; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    Sebastian, Sebin J., Somesh, K., Nandi, M., Ahmed, N., Bag, P., Baenitz, M., Koo, B., Sichelschmidt, J., Tsirlin, A. A., Furukawa, Y., and Nath, R. Quasi-one-dimensional magnetism in the spin-12 antiferromagnet BaNa2Cu(VO4)2.  United States: N. p., 2021. 
Web.  doi:10.1103/physrevb.103.064413.

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                    Sebastian, Sebin J., Somesh, K., Nandi, M., Ahmed, N., Bag, P., Baenitz, M., Koo, B., Sichelschmidt, J., Tsirlin, A. A., Furukawa, Y., & Nath, R. Quasi-one-dimensional magnetism in the spin-12 antiferromagnet BaNa2Cu(VO4)2.  United States.  https://doi.org/10.1103/physrevb.103.064413

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                    Sebastian, Sebin J., Somesh, K., Nandi, M., Ahmed, N., Bag, P., Baenitz, M., Koo, B., Sichelschmidt, J., Tsirlin, A. A., Furukawa, Y., and Nath, R. Mon .  
"Quasi-one-dimensional magnetism in the spin-12 antiferromagnet BaNa2Cu(VO4)2".  United States.  https://doi.org/10.1103/physrevb.103.064413.  https://www.osti.gov/servlets/purl/1764840.

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@article{osti_1764840,

  title        = {Quasi-one-dimensional magnetism in the spin-12 antiferromagnet BaNa2Cu(VO4)2},

  author       = {Sebastian, Sebin J. and Somesh, K. and Nandi, M. and Ahmed, N. and Bag, P. and Baenitz, M. and Koo, B. and Sichelschmidt, J. and Tsirlin, A. A. and Furukawa, Y. and Nath, R.},

  abstractNote = {Here, we report synthesis and magnetic properties of quasi-one-dimensional spin-12 Heisenberg antiferromagnetic chain compound BaNa2Cu(VO4)2. This orthovanadate has a centrosymmetric crystal structure, C2/c, where the magnetic Cu2+ ions form spin chains. These chains are arranged in layers, with the chain direction changing by 62° between the two successive layers. Alternatively, the spin lattice can be viewed as anisotropic triangular layers upon taking the interchain interactions into consideration. Despite this potential structural complexity, temperature-dependent magnetic susceptibility, heat capacity, electron spin resonance intensity, and nuclear magnetic resonance (NMR) shift agree well with the uniform spin-1/2 Heisenberg chain model with an intrachain coupling of J/kB≃5.6 K. The saturation field obtained from the magnetic isotherm measurement consistently reproduces the value of J/kB. Further, the V51 NMR spin-lattice relaxation rate mimics the one-dimensional character in the intermediate temperature range, whereas magnetic long-range order sets in below TN≃0.25 K. The effective interchain coupling is estimated to be J⊥/kB≃0.1 K. The theoretical estimation of exchange couplings using band-structure calculations reciprocate our experimental findings and unambiguously establish the one-dimensional character of the compound. Finally, the spin lattice of BaNa2Cu(VO4)2 is compared with the chemically similar but not isostructural compound BaAg2Cu(VO4)2.},

  doi          = {10.1103/physrevb.103.064413},

  journal      = {Physical Review B},

  number       = 6,

  volume       = 103,

  place        = {United States},

  year         = {Mon Feb 08 00:00:00 EST 2021},

  month        = {Mon Feb 08 00:00:00 EST 2021}

}

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Title: Quasi-one-dimensional magnetism in the spin-12 antiferromagnet BaNa2Cu(VO4)2

Abstract

Citation Formats

Chiral Order and Electromagnetic Dynamics in One-Dimensional Multiferroic Cuprates journal, December 2010

The spin-1/2 Heisenberg chain: thermodynamics, quantum criticality and spin-Peierls exponents journal, October 1998

Superposition of ferromagnetic and antiferromagnetic spin chains in the quantum magnet BaAg 2 Cu[VO 4 ] 2 journal, January 2012

Na2BaCuV2O8: Ein neuer Strukturtyp der Alkali-Erdalkalimetall Kupfer-Oxovanadate journal, December 1992

Magnetic model for A 2 CuP 2 O 7 ( A = Na , Li): One-dimensional versus two-dimensional behavior journal, November 2011

Experimental Realization of a Unique Class of Compounds: XY -Antiferromagnetic Triangular Lattices, KAg 2 Fe[VO 4 ] 2 and RbAg 2 Fe[VO 4 ] 2 , with Ferroelectric Ground States journal, October 2014

Valence-bond crystal phase of the crossed-chain quantum spin model journal, February 2004

Hindered magnetic order from mixed dimensionalities in CuP 2 O 6 journal, January 2014

Magnetic Susceptibility of Ideal Spin 1 / 2 Heisenberg Antiferromagnetic Chain Systems, Sr 2 CuO 3 and SrCuO 2 journal, April 1996

Observation of the spin-Peierls transition in linear Cu 2 + (spin-1/2) chains in an inorganic compound CuGeO 3 journal, June 1993

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

Frustrated couplings between alternating spin- 1 2 chains in AgVOAsO 4 journal, April 2011

Frustrated Cuprate Route from Antiferromagnetic to Ferromagnetic Spin- 1 2 Heisenberg Chains: Li 2 ZrCuO 4 as a Missing Link near the Quantum Critical Point journal, February 2007

Field-induced double dome and Bose-Einstein condensation in the crossing quantum spin chain system AgVOAsO 4 journal, September 2019

Magnetic Resonance Study of the Spin-1/2 Quantum Magnet BaAg2Cu[VO4]2 journal, January 2017

Anisotropic pyrochlores and the global phase diagram of the checkerboard antiferromagnet journal, September 2005

Cluster Algorithms for General- S Quantum Spin Systems journal, July 2001

Néel Temperature of Quasi-Low-Dimensional Heisenberg Antiferromagnets journal, June 2005

Quadrupolar spin-lattice relaxation in solids journal, February 1978

Specific heat and high-temperature series of lattice models: Interpolation scheme and examples on quantum spin systems in one and two dimensions journal, March 2001

Anisotropic Cu Knight shift and magnetic susceptibility in the normal state of Y Ba 2 Cu 3 O 7 journal, January 1989

Nuclear Spin-Lattice Relaxation in Dilute Paramagnetic Sapphire journal, August 1962

Magnetic order in the quasi-one-dimensional spin- 1 ∕ 2 molecular chain compound copper pyrazine dinitrate journal, January 2006

A Ag 2 M [VO 4 ] 2 ( A = Ba , Sr ; M = Co , Ni ): A series of ferromagnetic insulators journal, June 2012

Evidence of a single nonmagnetic Co 3 + state in the Na 1 CoO 2 cobaltate journal, September 2005

Dynamics of Coupled Quantum Spin Chains journal, September 1996

Spin gap in malachite Cu 2 (OH) 2 CO 3 and its evolution under pressure journal, December 2013

Full-potential nonorthogonal local-orbital minimum-basis band-structure scheme journal, January 1999

Frustrated Heisenberg antiferromagnet on the checkerboard lattice: J 1 - J 2 model journal, May 2012

Multiple magnetic transitions in the spin- 1 2 chain antiferromagnet SrCuTe 2 O 6 journal, June 2015

Unconventional spin excitations in the S = 3 2 triangular antiferromagnet RbAg 2 Cr [ VO 4 ] 2 journal, June 2020

NMR relaxation rates for the spin-1/2 Heisenberg chain journal, October 1995

Synthesis, Crystal Structure, and Physical Properties of BaAg 2 Cu[VO 4 ] 2 : A New Member of the S = 1 / 2 Triangular Lattice journal, March 2011

Linear Magnetic Chains with Anisotropic Coupling journal, August 1964

Hartree-Fock Diamagnetic Susceptibilities journal, October 1970

Nuclear Magnetic Relaxation in Antiferromagnetics journal, July 1956

Geometrically frustrated magnetic materials journal, January 2001

ESR study of the anisotropic exchange in the quasi-one-dimensional antiferromagnet Sr 2 V 3 O 9 journal, August 2003

Generalized directed loop method for quantum Monte Carlo simulations journal, March 2005

Nuclear magnetic resonance in the heavy fermion superconductors journal, January 2009

Study of one-dimensional nature of S = 1 ∕ 2 ( Sr , Ba ) 2 Cu ( P O 4 ) 2 and Ba Cu P 2 O 7 via P 31 NMR journal, May 2005

The ALPS project release 1.3: Open-source software for strongly correlated systems journal, March 2007

Spinons in a Crossed-Chains Model of a 2D Spin Liquid journal, April 2002

Intrinsic EPR in La2-xSrxCuO4: Manifestation of Three-Spin Polarons journal, November 1997

Synthesis and magnetic properties of a new series of triangular-lattice magnets, Na 2 BaMV 2 O 8 (M = Ni, Co, and Mn) journal, February 2013

Reduction of Ordered Moment and Néel Temperature of Quasi-One-Dimensional Antiferromagnets Sr 2 CuO 3 and Ca 2 CuO 3 journal, March 1997

Screw - Type Motion and Its Impact on Cooperativity in BaNa 2 Fe[VO 4 ] 2 journal, May 2018

Accurate and simple analytic representation of the electron-gas correlation energy journal, June 1992

Quasi-one-dimensional spin chains in CuSiO3: an EPR study journal, October 2002

NMR relaxation in half-integer antiferromagnetic spin chains journal, November 1994

Characterization of the spin- 1 2 linear-chain ferromagnet CuAs 2 O 4 journal, January 2014

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

One-dimensional behavior and sliding Luttinger liquid phase in a frustrated spin- 1 2 crossed chain model: Contribution of exact diagonalizations journal, November 2002

Commensurate and incommensurate magnetic order in spin-1 chains stacked on the triangular lattice in Li 2 NiW 2 O 8 journal, July 2016

Electronic and magnetic properties of K 2 Cu P 2 O 7 : A model S = 1 2 Heisenberg chain system journal, April 2008

Magnetic Ground State Crossover in a Series of Glaserite Systems with Triangular Magnetic Lattices journal, February 2019

Predicting the spin-lattice order of frustrated systems from first principles journal, December 2011

CaCu 2 (SeO 3 ) 2 Cl 2 : Spin- 1 2 Heisenberg chain compound with complex frustrated interchain couplings journal, April 2011

Strongly Geometrically Frustrated Magnets journal, August 1994

Title: Quasi-one-dimensional magnetism in the spin-12 antiferromagnet BaNa₂Cu(VO₄)₂

Chiral Order and Electromagnetic Dynamics in One-Dimensional Multiferroic Cuprates
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The spin-1/2 Heisenberg chain: thermodynamics, quantum criticality and spin-Peierls exponents
journal, October 1998

Superposition of ferromagnetic and antiferromagnetic spin chains in the quantum magnet BaAg $_{2}$ Cu[VO $_{4}]_{2}$
journal, January 2012

Na2BaCuV2O8: Ein neuer Strukturtyp der Alkali-Erdalkalimetall Kupfer-Oxovanadate
journal, December 1992

Magnetic model for $A_{2}$ CuP $_{2}$ O $_{7}$ ( $A = Na$ , Li): One-dimensional versus two-dimensional behavior
journal, November 2011

Experimental Realization of a Unique Class of Compounds: XY -Antiferromagnetic Triangular Lattices, KAg ₂ Fe[VO ₄ ] ₂ and RbAg ₂ Fe[VO ₄ ] ₂ , with Ferroelectric Ground States
journal, October 2014

Valence-bond crystal phase of the crossed-chain quantum spin model
journal, February 2004

Hindered magnetic order from mixed dimensionalities in ${CuP}_{2} O_{6}$
journal, January 2014

Magnetic Susceptibility of Ideal Spin 1 $/$ 2 Heisenberg Antiferromagnetic Chain Systems, ${Sr}_{2} {CuO}_{3}$ and ${SrCuO}_{2}$
journal, April 1996

Observation of the spin-Peierls transition in linear ${Cu}^{2 +}$ (spin-1/2) chains in an inorganic compound ${CuGeO}_{3}$
journal, June 1993

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

Frustrated couplings between alternating spin- $\frac{1}{2}$ chains in AgVOAsO $_{4}$
journal, April 2011

Frustrated Cuprate Route from Antiferromagnetic to Ferromagnetic Spin- $\frac{1}{2}$ Heisenberg Chains: ${Li}_{2} {ZrCuO}_{4}$ as a Missing Link near the Quantum Critical Point
journal, February 2007

Field-induced double dome and Bose-Einstein condensation in the crossing quantum spin chain system ${AgVOAsO}_{4}$
journal, September 2019

Magnetic Resonance Study of the Spin-1/2 Quantum Magnet BaAg2Cu[VO4]2
journal, January 2017

Anisotropic pyrochlores and the global phase diagram of the checkerboard antiferromagnet
journal, September 2005

Cluster Algorithms for General- $S$ Quantum Spin Systems
journal, July 2001

Néel Temperature of Quasi-Low-Dimensional Heisenberg Antiferromagnets
journal, June 2005

Quadrupolar spin-lattice relaxation in solids
journal, February 1978

Specific heat and high-temperature series of lattice models: Interpolation scheme and examples on quantum spin systems in one and two dimensions
journal, March 2001

Anisotropic Cu Knight shift and magnetic susceptibility in the normal state of Y ${Ba}_{2}$ ${Cu}_{3}$ $O_{7}$
journal, January 1989

Nuclear Spin-Lattice Relaxation in Dilute Paramagnetic Sapphire
journal, August 1962

Magnetic order in the quasi-one-dimensional spin- $1 ∕ 2$ molecular chain compound copper pyrazine dinitrate
journal, January 2006

$A$ Ag $_{2} M$ [VO $_{4}]_{2}$ ( $A = Ba, Sr$ ; $M = Co, Ni$ ): A series of ferromagnetic insulators
journal, June 2012

Evidence of a single nonmagnetic ${Co}^{3 +}$ state in the ${Na}_{1} {CoO}_{2}$ cobaltate
journal, September 2005

Dynamics of Coupled Quantum Spin Chains
journal, September 1996

Spin gap in malachite Cu $_{2}$ (OH) $_{2}$ CO $_{3}$ and its evolution under pressure
journal, December 2013

Full-potential nonorthogonal local-orbital minimum-basis band-structure scheme
journal, January 1999

Frustrated Heisenberg antiferromagnet on the checkerboard lattice: $J_{1}$ - $J_{2}$ model
journal, May 2012

Multiple magnetic transitions in the spin- $\frac{1}{2}$ chain antiferromagnet ${SrCuTe}_{2} O_{6}$
journal, June 2015

Unconventional spin excitations in the $S = \frac{3}{2}$ triangular antiferromagnet ${RbAg}_{2} Cr {[{VO}_{4}]}_{2}$
journal, June 2020

NMR relaxation rates for the spin-1/2 Heisenberg chain
journal, October 1995

Synthesis, Crystal Structure, and Physical Properties of BaAg ₂ Cu[VO ₄ ] ₂ : A New Member of the S = ¹ / ₂ Triangular Lattice
journal, March 2011

Linear Magnetic Chains with Anisotropic Coupling
journal, August 1964

Hartree-Fock Diamagnetic Susceptibilities
journal, October 1970

Nuclear Magnetic Relaxation in Antiferromagnetics
journal, July 1956

Geometrically frustrated magnetic materials
journal, January 2001

ESR study of the anisotropic exchange in the quasi-one-dimensional antiferromagnet ${Sr}_{2} V_{3} O_{9}$
journal, August 2003

Generalized directed loop method for quantum Monte Carlo simulations
journal, March 2005

Nuclear magnetic resonance in the heavy fermion superconductors
journal, January 2009

Study of one-dimensional nature of $S = 1 ∕ 2$ ${(Sr, Ba)}_{2} Cu {(P O_{4})}_{2}$ and $Ba Cu P_{2} O_{7}$ via ${}^{31}P$ NMR
journal, May 2005

The ALPS project release 1.3: Open-source software for strongly correlated systems
journal, March 2007

Spinons in a Crossed-Chains Model of a 2D Spin Liquid
journal, April 2002

Intrinsic EPR in La2-xSrxCuO4: Manifestation of Three-Spin Polarons
journal, November 1997

Synthesis and magnetic properties of a new series of triangular-lattice magnets, Na ₂ BaMV ₂ O ₈ (M = Ni, Co, and Mn)
journal, February 2013

Reduction of Ordered Moment and Néel Temperature of Quasi-One-Dimensional Antiferromagnets ${Sr}_{2} {CuO}_{3}$ and ${Ca}_{2} {CuO}_{3}$
journal, March 1997

Screw - Type Motion and Its Impact on Cooperativity in BaNa ₂ Fe[VO ₄ ] ₂
journal, May 2018

Accurate and simple analytic representation of the electron-gas correlation energy
journal, June 1992

Quasi-one-dimensional spin chains in CuSiO3: an EPR study
journal, October 2002

NMR relaxation in half-integer antiferromagnetic spin chains
journal, November 1994

Characterization of the spin- $\frac{1}{2}$ linear-chain ferromagnet CuAs $_{2}$ O $_{4}$
journal, January 2014

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

One-dimensional behavior and sliding Luttinger liquid phase in a frustrated spin- $\frac{1}{2}$ crossed chain model: Contribution of exact diagonalizations
journal, November 2002

Commensurate and incommensurate magnetic order in spin-1 chains stacked on the triangular lattice in ${Li}_{2} {NiW}_{2} O_{8}$
journal, July 2016

Electronic and magnetic properties of $K_{2} Cu P_{2} O_{7}$ : A model $S = \frac{1}{2}$ Heisenberg chain system
journal, April 2008

Magnetic Ground State Crossover in a Series of Glaserite Systems with Triangular Magnetic Lattices
journal, February 2019

Predicting the spin-lattice order of frustrated systems from first principles
journal, December 2011

CaCu $_{2}$ (SeO $_{3})_{2}$ Cl $_{2}$ : Spin- $\frac{1}{2}$ Heisenberg chain compound with complex frustrated interchain couplings
journal, April 2011

Strongly Geometrically Frustrated Magnets
journal, August 1994