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Quantum paramagnetism and helimagnetic orders in the Heisenberg model on the body centered cubic lattice

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 Added by Yasir Iqbal
 Publication date 2019
  fields Physics
and research's language is English




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We investigate the spin $S=1/2$ Heisenberg model on the body centered cubic lattice in the presence of ferromagnetic and antiferromagnetic nearest-neighbor $J_{1}$, second-neighbor $J_{2}$, and third-neighbor $J_{3}$ exchange interactions. The classical ground state phase diagram obtained by a Luttinger-Tisza analysis is shown to host six different (noncollinear) helimagnetic orders in addition to ferromagnetic, Neel, stripe and planar antiferromagnetic orders. Employing the pseudofermion functional renormalization group (PFFRG) method for quantum spins ($S=1/2$) we find an extended nonmagnetic region, and significant shifts to the classical phase boundaries and helimagnetic pitch vectors caused by quantum fluctuations while no new long-range dipolar magnetic orders are stabilized. The nonmagnetic phase is found to disappear for $S=1$. We calculate the magnetic ordering temperatures from PFFRG and quantum Monte Carlo methods, and make comparisons to available data



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161 - M. Schmidt , G. L. Kohlrausch , 2021
Recent results for the Ising model with first ($J_1$) and second ($J_2$) neighbour interactions on the body-centered cubic (bcc) lattice suggest that this model can host signatures of strong frustration, including Schottky anomalies and residual entropy, as well as, a spin-liquid-like phase [E. Jurv{c}iv{s}inova and M. Jurv{c}iv{s}in, Phys. Rev. B, 101 214443 (2020)]. Motivated by these findings, we investigate phase transitions and thermodynamics of this model using a cluster mean-field approach. In this lattice, tuning $g=J_2/J_1$ leads to a ground-state transition between antiferromagnetic (AF) and superantiferromagnetic (SAF) phases at the frustration maximum $g=2/3$. Although the ordering temperature is reduced as $g to 2/3$, our findings suggest the absence of any Schottky anomaly and residual entropy, in good agreement with Monte Carlo simulations. We also find a direct transition between AF and SAF phases, ruling out the presence of the spin-liquid-like state. Furthermore, the cluster mean-field outcomes support a scenario with only continuous phase transitions between the paramagnetic state and the low-temperature long-range orders. Therefore, our results indicate the absence of strong frustration effects in the thermodynamics and in the nature of phase transitions, which can be ascribed to the higher dimensionality of the bcc lattice.
We discuss the role of quantum fluctuations in Heisenberg antiferromagnets on face-centered cubic lattice with small dipolar interaction in which the next-nearest-neighbor exchange coupling dominates over the nearest-neighbor one. It is well known that a collinear magnetic structure which contains (111) ferromagnetic planes arranged antiferromagnetically along one of the space diagonals of the cube is stabilized in this model via order-by-disorder mechanism. On the mean-field level, the dipolar interaction forces spins to lie within (111) planes. By considering 1/S - corrections to the ground state energy, we demonstrate that quantum fluctuations lead to an anisotropy within (111) planes favoring three equivalent directions for the staggered magnetization (e.g., $[11overline{2}]$, $[1overline{2}1]$, and $[overline{2}11]$ directions for (111) plane). Such in-plane anisotropy was obtained experimentally in related materials MnO, $alpha$-MnS, $alpha$-MnSe, EuTe, and EuSe. We find that the order-by-disorder mechanism can contribute significantly to the value of the in-plane anisotropy in EuTe. Magnon spectrum is also derived in the first order in 1/S.
Due to the interaction between topological defects of an order parameter and underlying fermions, the defects can possess induced fermion numbers, leading to several exotic phenomena of fundamental importance to both condensed matter and high energy physics. One of the intriguing outcome of induced fermion number is the presence of fluctuating competing orders inside the core of topological defect. In this regard, the interaction between fermions and skyrmion excitations of antiferromagnetic phase can have important consequence for understanding the global phase diagrams of many condensed matter systems where antiferromagnetism and several singlet orders compete. We critically investigate the relation between fluctuating competing orders and skyrmion excitations of the antiferromagnetic insulating phase of a half-filled Kondo-Heisenberg model on honeycomb lattice. By combining analytical and numerical methods we obtain exact eigenstates of underlying Dirac fermions in the presence of a single skyrmion configuration, which are used for computing induced chiral charge. Additionally, by employing this nonperturbative eigenbasis we calculate the susceptibilities of different translational symmetry breaking charge, bond and current density wave orders and translational symmetry preserving Kondo singlet formation. Based on the computed susceptibilities we establish spin Peierls and Kondo singlets as dominant competing orders of antiferromagnetism. We show favorable agreement between our findings and field theoretic predictions based on perturbative gradient expansion scheme which crucially relies on adiabatic principle and plane wave eigenstates for Dirac fermions. The methodology developed here can be applied to many other correlated systems supporting competition between spin-triplet and spin-singlet orders in both lower and higher spatial dimensions.
It is often computationally advantageous to model space as a discrete set of points forming a lattice grid. This technique is particularly useful for computationally difficult problems such as quantum many-body systems. For reasons of simplicity and familiarity, nearly all quantum many-body calculations have been performed on simple cubic lattices. Since the removal of lattice artifacts is often an important concern, it would be useful to perform calculations using more than one lattice geometry. In this work we show how to perform quantum many-body calculations using auxiliary-field Monte Carlo simulations on a three-dimensional body-centered cubic (BCC) lattice. As a benchmark test we compute the ground state energy of 33 spin-up and 33 spin-down fermions in the unitary limit, which is an idealized limit where the interaction range is zero and scattering length is infinite. As a fraction of the free Fermi gas energy $E_{rm FG}$, we find that the ground state energy is $E_0/E_{rm FG}= 0.369(2), 0.371(2),$ using two different definitions of the finite-system energy ratio. This is in excellent agreement with recent results obtained on a cubic lattice cite{He:2019ipt}. We find that the computational effort and performance on a BCC lattice is approximately the same as that for a cubic lattice with the same number of lattice points. We discuss how the lattice simulations with different geometries can be used to constrain the size lattice artifacts in simulations of continuum quantum many-body systems.
By using variational wave functions and quantum Monte Carlo techniques, we investigate the complete phase diagram of the Heisenberg model on the anisotropic triangular lattice, where two out of three bonds have super-exchange couplings $J$ and the third one has instead $J^prime$. This model interpolates between the square lattice and the isotropic triangular one, for $J^prime/J le 1$, and between the isotropic triangular lattice and a set of decoupled chains, for $J/J^prime le 1$. We consider all the fully-symmetric spin liquids that can be constructed with the fermionic projective-symmetry group classification [Y. Zhou and X.-G. Wen, arXiv:cond-mat/0210662] and we compare them with the spiral magnetic orders that can be accommodated on finite clusters. Our results show that, for $J^prime/J le 1$, the phase diagram is dominated by magnetic orderings, even though a spin-liquid state may be possible in a small parameter window, i.e., $0.7 lesssim J^prime/J lesssim 0.8$. In contrast, for $J/J^prime le 1$, a large spin-liquid region appears close to the limit of decoupled chains, i.e., for $J/J^prime lesssim 0.6$, while magnetically ordered phases with spiral order are stabilized close to the isotropic point.
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