arXiv subjects

O. Götze

Publications and source records attributed to O. Götze.

12 recordsLinked to original sources

arXiv2022

Ground state selection by magnon interactions in the fcc antiferromagnet

We study the nearest-neighbor Heisenberg antiferromagnet on a face-centered cubic lattice with arbitrary spin S. The model exhibits degenerate classical ground states including two collinear structures AF1 and AF3 described by different propagation vectors that are prime candidates for the quantum ground state. We compute the energy for each of the two states as a function of S using the spin-wave theory that includes magnon-magnon interaction in a self-consistent way and the numerical coupled cluster method. Our results unambiguously demonstrate that quantum fluctuations stabilize the AF1 state for realistic values of spin. Transition to the harmonic spin-wave result, which predicts the AF3 state, takes place only for S > 10. We also study quantum renormalization of the magnon spectra for both states as a function of spin.

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arXiv2019

Frustrated spin-$\frac{1}{2}$ Heisenberg magnet on a square-lattice bilayer: High-order study of the quantum critical behavior of the $J_{1}$--$J_{2}$--$J_{1}^{\perp}$ model

The zero-temperature phase diagram of the spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$--$J_{1}^{\perp}$ model on an $AA$-stacked square-lattice bilayer is studied using the coupled cluster method implemented to very high orders. Both nearest-neighbor (NN) and frustrating next-nearest-neighbor Heisenberg exchange interactions, of strengths $J_{1}>0$ and $J_{2} \equiv κJ_{1}>0$, respectively, are included in each layer. The two layers are coupled via a NN interlayer Heisenberg exchange interaction with a strength $J_{1}^{\perp} \equiv δJ_{1}$. The magnetic order parameter $M$ (viz., the sublattice magnetization) is calculated directly in the thermodynamic (infinite-lattice) limit for the two cases when both layers have antiferromagnetic ordering of either the Néel or the striped kind, and with the layers coupled so that NN spins between them are either parallel (when $δ< 0$) or antiparallel (when $δ> 0$) to one another. Calculations are performed at $n$th order in a well-defined sequence of approximations, which exactly preserve both the Goldstone linked cluster theorem and the Hellmann-Feynman theorem, with $n \leq 10$. The sole approximation made is to extrapolate such sequences of $n$th-order results for $M$ to the exact limit, $n \to \infty$. By thus locating the points where $M$ vanishes, we calculate the full phase boundaries of the two collinear AFM phases in the $κ$--$δ$ half-plane with $κ> 0$. In particular, we provide the accurate estimate, ($κ\approx 0.547,δ\approx -0.45$), for the position of the quantum triple point (QTP) in the region $δ< 0$. We also show that there is no counterpart of such a QTP in the region $δ> 0$, where the two quasiclassical phase boundaries show instead an ``avoided crossing'' behavior, such that the entire region that contains the nonclassical paramagnetic phases is singly connected.

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arXiv2018

The Interplay Between Lattice Topology, Frustration, and Spin Quantum Number in Quantum Antiferromagnets on Archimedean Lattices

The interplay between lattice topology, frustration, and spin quantum number, $s$, is explored for the Heisenberg antiferromagnet (HAFM) on the eleven two-dimensional Archimedean lattices (square, honeycomb, CaVO, SHD, SrCuBO, triangle, bounce, trellis, maple-leaf, star, and kagome). We show the CCM provides consistently accurate results when compared to the results of other approximate methods. The $\sqrt{3}\times\sqrt{3}$ model state provides lower ground-state energies than those of the $q=0$ model state for the kagome and star lattices for most values of $s$. The $q=0$ model state provides lower ground-state energies only for $s=1/2$ for the kagome lattice and $s=1/2$ and $s=1$ for the star lattice. The kagome and star lattices demonstrate the least amount of magnetic ordering and the unfrustrated lattices (square, honeycomb, SHD, and CaVO) demonstrate the most magnetic ordering for all values of $s$. The SrCuBO and triangular lattices also demonstrate high levels of magnetic ordering, while the remaining lattices (bounce, maple-leaf, and trellis) tend to lie between these extremes, again for all values of $s$. These results also clearly reflect the strong increase in magnetic order with increasing spin quantum number $s$ for all lattices. The ground-state energy, $E_g/(NJs^2)$, scales with $s^{-1}$ to first order, as expected from spin-wave theory, although the order parameter, $M/s$, scales with $s^{-1}$ for most of the lattices only. Self-consistent spin-wave theory calculations indicated previously that $M/s$ scales with $s^{-2/3}$ for the kagome lattice HAFM, whereas previous CCM results (replicated here also) suggested that $M/s$ scales with $s^{-1/2}$. By using similar arguments, we find here also that $M/s$ scales with $s^{-1/3}$ on the star lattice and with $s^{-2/3}$ on the SrCuBO lattice.

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arXiv2016

Ground-State Ordering of the $J_1$--$J_2$ Model on the Simple Cubic and Body-Centered Cubic Lattices

The $J_1$--$J_2$ Heisenberg model is a "canonical" model in the field of quantum magnetism in order to study the interplay between frustration and quantum fluctuations as well as quantum phase transitions driven by frustration. Here we apply the Coupled Cluster Method (CCM) to study the spin-half $J_1$--$J_2$ model with antiferromagnetic nearest-neighbor bonds $J_1 >0$ and next-nearest-neighbor bonds $J_2 >0$ for the simple cubic (SC) and body-centered cubic (BCC) lattices. In particular, we wish to study the ground-state ordering of these systems as a function of the frustration parameter $p=z_2J_2/z_1J_1$, where $z_1$ ($z_2$) is the number of nearest (next-nearest) neighbors. We wish to determine the positions of the phase transitions using the CCM and we aim to resolve the nature of the phase transition points. We consider the ground-state energy, order parameters, spin-spin correlation functions as well as the spin stiffness in order to determine the ground-state phase diagrams of these models. We find a direct first-order phase transition at a value of $p = 0.528$ from a state of nearest-neighbor Néel order to next-nearest-neighbor Néel order for the BCC lattice. For the SC lattice the situation is more subtle. CCM results for the energy, the order parameter, the spin-spin correlation functions and the spin stiffness indicate that there is no direct first-order transition between ground-state phases with magnetic long-range order, rather it is more likely that two phases with antiferromagnetic long-range are separated by a narrow region of a spin-liquid like quantum phase around $p=0.55$. Thus the strong frustration present in the $J_1$--$J_2$ Heisenberg model on the SC lattice may open a window for an unconventional quantum ground state in this three-dimensional spin model.

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arXiv2015

Frustrated Heisenberg antiferromagnet on the honeycomb lattice: Spin gap and low-energy parameters

We use the coupled cluster method implemented to high orders of approximation to investigate the frustrated spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$--$J_{3}$ antiferromagnet on the honeycomb lattice with isotropic Heisenberg interactions of strength $J_{1} > 0$ between nearest-neighbor pairs, $J_{2}>0$ between next-nearest-neighbor pairs, and $J_{3}>0$ between next-next-neareast-neighbor pairs of spins. In particular, we study both the ground-state (GS) and lowest-lying triplet excited-state properties in the case $J_{3}=J_{2} \equiv κJ_{1}$, in the window $0 \leq κ\leq 1$ of the frustration parameter, which includes the (tricritical) point of maximum classical frustration at $κ_{\rm cl} = \frac{1}{2}$. We present GS results for the spin stiffness, $ρ_{s}$, and the zero-field uniform magnetic susceptibility, $χ$, which complement our earlier results for the GS energy per spin, $E/N$, and staggered magnetization, $M$, to yield a complete set of accurate low-energy parameters for the model. Our results all point towards a phase diagram containing two quasiclassical antiferromagnetic phases, one with Néel order for $κ< κ_{c_{1}}$, and the other with collinear striped order for $κ> κ_{c_{2}}$. The results for both $χ$ and the spin gap $Δ$ provide compelling evidence for a quantum paramagnetic phase that is gapped over a considerable portion of the intermediate region $κ_{c_{1}} < κ< κ_{c_{2}}$, especially close to the two quantum critical points at $κ_{c_{1}}$ and $κ_{c_{2}}$. Each of our fully independent sets of results for the low-energy parameters is consistent with the values $κ_{c_{1}} = 0.45 \pm 0.02$ and $κ_{c_{2}} = 0.60 \pm 0.02$, and with the transition at $κ_{c_{1}}$ being of continuous (and probably of the deconfined) type and that at $κ_{c_{2}}$ being of first-order type.

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arXiv2015

Ground-state properties of the triangular-lattice Heisenberg antiferromagnet with arbitrary spin quantum number $s$

We apply the coupled cluster method to high orders of approximation and exact diagonalizations to study the ground-state properties of the triangular-lattice spin-$s$ Heisenberg antiferromagnet. We calculate the fundamental ground-state quantities, namely, the energy $e_0$, the sublattice magnetization $M_{\rm sub}$, the in-plane spin stiffness $ρ_s$ and the in-plane magnetic susceptibility $χ$ for spin quantum numbers $s=1/2, 1, \ldots, s_{\rm max}$, where $s_{\rm max}=9/2$ for $e_0$ and $M_{\rm sub}$, $s_{\rm max}=4$ for $ρ_s$ and $s_{\rm max}=3$ for $χ$. We use the data for $s \ge 3/2$ to estimate the leading quantum corrections to the classical values of $e_0$, $M_{\rm sub}$, $ρ_s$, and $χ$. In addition, we study the magnetization process, the width of the 1/3 plateau as well as the sublattice magnetizations in the plateau state as a function of the spin quantum number $s$.

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arXiv2015

The ground-state phase diagram of the XXZ spin-s kagome antiferromagnet: A coupled-cluster study

We use the coupled cluster method to high orders of approximation in order to calculate the ground-state phase diagram of the XXZ spin-$s$ kagome antiferromagnet with easy-plane anisotropy, i.e. the anisotropy parameter $Δ$ varies between $Δ=1$ (isotropic Heisenberg model) and $Δ=0$ ($XY$ model). We find that for the extreme quantum case $s=1/2$ the ground state is magnetically disordered in the entire region $0 \le Δ\le 1$. For $s=1$ the ground state is disordered for $0.818 < Δ\le 1$, it exhibits $\sqrt{3}\times\sqrt{3}$ magnetic long-range order for $0.281 < Δ<0.818$, and $q=0$ magnetic long-range order for $0 \le Δ< 0.281$. We confirm the recent result of Chernyshev and Zhitomirsky (Phys. Rev. Lett. 113, 237202 (2014)) that the selection of the ground state by quantum fluctuations is different for small $Δ$ ($XY$ limit) and for $Δ$ close to one (Heisenberg limit), i.e., $q=0$ magnetic order is favored over $\sqrt{3}\times\sqrt{3}$ for $0\le Δ<Δ_c$ and vice versa for $Δ_c < Δ\le 1$. We calculate $Δ_c$ as a function of the spin quantum number $s$.

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arXiv2013

Thermodynamics of the two-dimensional frustrated J1-J2 Heisenberg ferromagnet in the collinear stripe regime: Susceptibility and correlation length

We calculate the temperature dependence of the correlation length xi and the uniform susceptibility chi_0 of the frustrated J1-J2 square-lattice Heisenberg ferromagnet in the collinear stripe phase using Green-function technique. The height chi_{max} and the position T(chi_{max}) of the maximum in the chi_0(T) curve exhibit a characteristic dependence on the frustration parameter J2/|J1|, which is well described by power laws, chi_{max}=a(J2-J2^c)^{-nu} and T(chi_{max})=b(J_2-J_2^c), where J2^c = 0.4 and nu is of the order of unity.The correlation length diverges at low temperatures as xi \propto e^{A/T}, where A increases with growing J2/|J1|. We also compare our results with recent measurements on layered vanadium phosphates and find reasonable agreement.

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arXiv2012

Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice

We use the coupled cluster method to study the zero-temperature properties of an extended two-dimensional Heisenberg antiferromagnet formed from spin-1/2 moments on an infinite spatially anisotropic kagome lattice of corner-sharing isosceles triangles, with nearest-neighbor bonds only. The bonds have exchange constants $J_{1}>0$ along two of the three lattice directions and $J_{2} \equiv κJ_{1} > 0$ along the third. In the classical limit the ground-state (GS) phase for $κ< 1/2$ has collinear ferrimagnetic (Néel$'$) order where the $J_2$-coupled chain spins are ferromagnetically ordered in one direction with the remaining spins aligned in the opposite direction, while for $κ> 1/2$ there exists an infinite GS family of canted ferrimagnetic spin states, which are energetically degenerate. For the spin-1/2 case we find that quantum analogs of both these classical states continue to exist as stable GS phases in some regions of the anisotropy parameter $κ$, namely for $0<κ<κ_{c_1}$ for the Néel$'$ state and for (at least part of) the region $κ>κ_{c_2}$ for the canted phase. However, they are now separated by a paramagnetic phase without either sort of magnetic order in the region $κ_{c_1} < κ< κ_{c_2}$, which includes the isotropic kagome point $κ= 1$ where the stable GS phase is now believed to be a topological ($\mathbb{Z}_2$) spin liquid. Our best numerical estimates are $κ_{c_1} = 0.515 \pm 0.015$ and $κ_{c_2} = 1.82 \pm 0.03$.

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arXiv2012

The magnetization process of the spin-one triangular-lattice Heisenberg antiferromagnet

We apply the coupled cluster method and exact diagonalzation to study the uniform susceptibility and the ground-state magnetization curve of the triangular-lattice spin-1 Heisenberg antiferromagnet. Comparing our theoretical data for the magnetization curve with recent measurements on the s=1 triangular lattice antiferromagnet Ba3NiSb2O9 we find a very good agreement.

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arXiv2012

Ground-state phase diagram of the spin-1/2 square-lattice J1-J2 model with plaquette structure

Using the coupled cluster method for high orders of approximation and Lanczos exact diagonalization we study the ground-state phase diagram of a quantum spin-1/2 J1-J2 model on the square lattice with plaquette structure. We consider antiferromagnetic (J1>0) as well as ferromagnetic (J1<0) nearest-neighbor interactions together with frustrating antiferromagnetic next-nearest-neighbor interaction J2>0. The strength of inter-plaquette interaction lambda varies between lambda=1 (that corresponds to the uniform J1-J2 model) and lambda=0 (that corresponds to isolated frustrated 4-spin plaquettes). While on the classical level (s \to \infty) both versions of models (i.e., with ferro- and antiferromagnetic J1) exhibit the same ground-state behavior, the ground-state phase diagram differs basically for the quantum case s=1/2. For the antiferromagnetic case (J1 > 0) Neel antiferromagnetic long-range order at small J2/J1 and lambda \gtrsim 0.47 as well as collinear striped antiferromagnetic long-range order at large J2/J1 and lambda \gtrsim 0.30 appear which correspond to their classical counterparts. Both semi-classical magnetic phases are separated by a nonmagnetic quantum paramagnetic phase. The parameter region, where this nonmagnetic phase exists, increases with decreasing of lambda. For the ferromagnetic case (J1 < 0) we have the trivial ferromagnetic ground state at small J2/|J1|. By increasing of J2 this classical phase gives way for a semi-classical plaquette phase, where the plaquette block spins of length s=2 are antiferromagnetically long-range ordered. Further increasing of J2 then yields collinear striped antiferromagnetic long-range order for lambda \gtrsim 0.38, but a nonmagnetic quantum paramagnetic phase lambda \lesssim 0.38.

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arXiv2011

The Heisenberg antiferromagnet on the kagome lattice with arbitrary spin: A high-order coupled cluster treatment

Starting with the sqrt{3} x sqrt{3} and the q=0 states as reference states we use the coupled cluster method to high orders of approximation to investigate the ground state of the Heisenberg antiferromagnet on the kagome lattice for spin quantum numbers s=1/2,1,3/2,2,5/2, and 3. Our data for the ground-state energy for s=1/2 are in good agreement with recent large-scale density-matrix renormalization group and exact diagonalization data. We find that the ground-state selection depends on the spin quantum number s. While for the extreme quantum case, s=1/2, the q=0 state is energetically favored by quantum fluctuations, for any s>1/2 the sqrt{3} x sqrt{3} state is selected. For both the sqrt{3} x sqrt{3} and the q=0 states the magnetic order is strongly suppressed by quantum fluctuations. Within our coupled cluster method we get vanishing values for the order parameter (sublattice magnetization) M for s=1/2 and s=1, but (small) nonzero values for M for s>1. Using the data for the ground-state energy and the order parameter for s=3/2,2,5/2, and 3 we also estimate the leading quantum corrections to the classical values.

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