Magnetic Exchange Interactions in BaMn2As2: A Case Study of the J1-J2-Jc Heisenberg Model

Abstract

BaMn2As2 is unique among BaT2As2 compounds crystallizing in the body-centered-tetragonal ThCr2Si2 structure, which contain stacked square lattices of 3d transition metal T atoms, since it has an insulating large-moment (3.9 muB/Mn) G-type (checkerboard) antiferromagnetic AF ground state. We report measurements of the anisotropic magnetic susceptibility chi versus temperature T from 300 to 1000 K of single crystals of BaMn2As2, and magnetic inelastic neutron scattering measurements at 8 K and 75As NMR measurements from 4 to 300 K of polycrystalline samples. The Neel temperature determined from the chi(T) measurements is TN = 618(3) K. The measurements are analyzed using the J1-J2-Jc Heisenberg model. Linear spin wave theory for G-type AF ordering and classical and quantum Monte Carlo simulations and molecular field theory calculations of chi(T) and of the magnetic heat capacity Cmag(T) are presented versus J1, J2 and Jc. We also obtain band theoretical estimates of the exchange couplings in BaMn2As2. From analyses of our chi(T), NMR, neutron scattering, and previously published heat capacity data for BaMn2As2 on the basis of the above theories for the J1-J2-Jc Heisenberg model and our band-theoretical results, our best estimates of the exchange constants in BaMn2As2 are J1 = 13 meV, J2/J1 = 0.3 and Jc/J1 = 0.1, which are all antiferromagnetic. From our classical Monte Carlo simulations of the G-type AF ordering transition, these exchange parameters predict TN = 640 K for spin S = 5/2, in close agreement with experiment. Using spin wave theory, we also utilize these exchange constants to estimate the suppression of the ordered moment due to quantum fluctuations for comparison with the observed value and again obtain S = 5/2 for the Mn spin.

48 pages, 33 figures, 11 tables, 86 references; v2: Added discussion to introduction, additional classical Monte Carlo data added; published version

References in corpus (23)

• Superconductivity at 38 K in the iron arsenide (Ba1-xKx)Fe2As2
• The ALPS project release 1.3: open source software for strongly correlated systems
• Thorium-doping induced superconductivity up to 56 K in Gd1-xThxFeAsO
• Evolution from Itinerant Antiferromagnet to Unconventional Superconductor with Fluorine Doping in La(O_{1-x}F_{x})FeAs Revealed by ^{75}As and ^{139}La Nuclear Magnetic Resonance
• Magnetism in Fe-based superconductors
• Anisotropy in the electrical resistivity and susceptibility of superconducting BaFe${}_2$As${}_2$ single crystals
• Generalized Directed Loop Method for Quantum Monte Carlo Simulations
• Commensurate Itinerant Antiferromagnetism in BaFe2As2: 75As-NMR Studies on a Self-Flux Grown Single Crystal
• Spin-singlet superconductivity with multiple gaps in PrO0.89F0.11FeAs
• Electronic structure and Magnetism in BaMn${}_2$As${}_2$ and BaMn${}_2$Sb${}_2$
• Quantum $J_1$--$J_2$ antiferromagnet on the stacked square lattice: Influence of the interlayer coupling on the ground-state magnetic ordering
• Universal linear-temperature dependence of static magnetic susceptibility in iron-pnictides
• Antiferromagnetic ordering in the absence of a structural distortion in Ba(Fe{1-x}Mn{x})2As2
• Competing magnetic ground states in non-superconducting Ba(Fe1-xCrx)2As2
• First order magnetic transition in single crystal CaFe${}_2$As${}_2$ detected by ${}^{75}$As NMR
• Self-consistent spin-wave theory for a frustrated Heisenberg model with biquadratic exchange in the columnar phase and its application to iron pnictides
• Synthesis, Structure and Properties of Tetragonal Sr2M3As2O2 (M3 = Mn3, Mn2Cu and MnZn2) Compounds Containing Alternating CuO2-Type and FeAs-Type Layers
• Determination of the exchange anisotropy in perovskite antiferromagnets using powder inelastic neutron scattering
• Role of covalent Fe-As bonding in the magnetic moment formation and exchange mechanisms in iron-pnictide superconductors
• Microscopic study of the effect of impurities on the first order spin density wave transition in BaFe${}_2$As${}_2$
• Three dimensional generalization of the $J_1$-$J_2$ Heisenberg model on a square lattice and role of the interlayer coupling $J_c$
• Magnetic phase diagram of spatially anisotropic, frustrated spin-1/2 Heisenberg antiferromagnet on a stacked square lattice
• Spin-wave energy dispersion of a frustrated spin-1/2 Heisenberg antiferromagnet on a stacked square lattice

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