arXiv subjects

Yasir Iqbal

Publications and source records attributed to Yasir Iqbal.

At least 73 records · Page 4Linked to original sources

arXiv2022

Tensor network study of the spin-1/2 Heisenberg anti-ferromagnet on the Shuriken lattice

We investigate the ground state of the spin $S=1/2$ Heisenberg anti-ferromagnet on the Shuriken lattice, also in the presence of an external magnetic field. To this end, we employ two-dimensional tensor network techniques based on infinite projected entangled pair and simplex states considering states with different sizes of the unit cells. We show that a valence bond crystal with resonances over length six loops emerges as the ground state (at any given finite bond dimension) yielding the lowest reported estimate of the ground state energy $E_0/J = -0.4410 \pm 0.0001$ for this model, estimated in the thermodynamic limit. We also study the model in the presence of an external magnetic field and find the emergence of $0$, $1/3$ and $2/3$ magnetization plateaus with states respecting translation and point group symmetries that feature loop-four plaquette resonances instead.

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arXiv2022

Pinch-points to half-moons and up in the stars: the kagome skymap

Pinch point singularities, associated with flat band magnetic excitations, are tell-tale signatures of Coulomb spin liquids. While their properties in the presence of quantum fluctuations have been widely studied, the fate of the complementary non-analytic features -- shaped as half-moons and stars -- arising from adjacent shallow dispersive bands has remained unexplored. Here, we address this question for the spin $S=1/2$ Heisenberg antiferromagnet on the kagome lattice with second and third neighbor couplings, which allows one to tune the classical ground state from flat bands to being governed by shallow dispersive bands for intermediate coupling strengths. Employing the complementary strengths of variational Monte Carlo, pseudo-fermion functional renormalization group, and density-matrix renormalization group, we establish the quantum phase diagram. The U(1) Dirac spin liquid ground state of the nearest-neighbor antiferromagnet remains remarkably robust till intermediate coupling strengths when it transitions into a pinwheel valence bond crystal displaying signatures of half-moons in its structure factor. Our work thus identifies a microscopic setting that realizes one of the proximate orders of the Dirac spin liquid identified in a recent work [Song, Wang, Vishwanath, He, Nat. Commun. 10, 4254 (2019)]. For larger couplings, we obtain a collinear magnetically ordered ground state characterized by star-like patterns.

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arXiv2021

Pinwheel valence-bond-crystal ground state of the spin-$\frac{1}{2}$ Heisenberg antiferromagnet on the $shuriken$ lattice

We investigate the nature of the ground-state of the spin-$\frac{1}{2}$ Heisenberg antiferromagnet on the $shuriken$ lattice by complementary state-of-the-art numerical techniques, such as variational Monte Carlo (VMC) with versatile Gutzwiller-projected Jastrow wave functions, unconstrained multi-variable variational Monte Carlo (mVMC), and pseudo-fermion/Majorana functional renormalization group (PF/PM-FRG) methods. We establish the presence of a quantum paramagnetic ground state and investigate its nature, by classifying symmetric and chiral quantum spin liquids, and inspecting their instabilities towards competing valence-bond-crystal (VBC) orders. Our VMC analysis reveals that a VBC with a pinwheel structure emerges as the lowest-energy variational ground state, and it is obtained as an instability of the U(1) Dirac spin liquid. Analogous conclusions are drawn from mVMC calculations employing accurate BCS pairing states supplemented by symmetry projectors, which confirm the presence of pinwheel VBC order by a thorough analysis of dimer-dimer correlation functions. Our work highlights the nontrivial role of quantum fluctuations via the Gutzwiller projector in resolving the subtle interplay between competing orders.

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arXiv2021

Dimerization tendencies of the pyrochlore Heisenberg antiferromagnet: A functional renormalization group perspective

We investigate the ground state properties of the spin-$1/2$ pyrochlore Heisenberg antiferromagnet using pseudofermion functional renormalization group techniques. The first part of our analysis is based on an enhanced parton mean-field approach which takes into account fluctuation effects from renormalized vertex functions. Our implementation of this technique extends earlier approaches and resolves technical difficulties associated with a diagrammatic overcounting. Using various parton ansätze for quantum spin liquids, dimerized and nematic states our results indicate a tendency for lattice symmetry breaking in the ground state. While overall quantum spin liquids seem unfavorable in this system, the recently proposed monopole state still shows the strongest support among all spin liquid ansätze that we have tested, which is further confirmed by our complementary variational Monte Carlo calculations. In the second part of our investigation, we probe lattice symmetry breaking more directly by applying the pseudofermion functional renormalization group to perturbed systems. Our results from this technique confirm that the system's ground state either exhibits broken $C_3$ rotation symmetry, or a combination of inversion and $C_3$ symmetry breaking.

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arXiv2021

Gutzwiller-projected states for the $J_1$-$J_2$ Heisenberg model on the kagome lattice: achievements and pitfalls

We assess the ground-state phase diagram of the $J_1$-$J_2$ Heisenberg model on the kagome lattice by employing Gutzwiller-projected fermionic wave functions. Within this framework, different states can be represented, defined by distinct unprojected fermionic Hamiltonians that include hopping and pairing terms, as well as a coupling to local Zeeman fields to generate magnetic order. For $J_2=0$, the so-called U(1) Dirac state, in which only hopping is present (such as to generate a $π$-flux in the hexagons), has been shown to accurately describe the exact ground state [Y. Iqbal, F. Becca, S. Sorella, and D. Poilblanc, Phys. Rev. B 87, 060405 (2013); Y.-C. He, M. P. Zaletel, M. Oshikawa, and F. Pollmann, Phys. Rev. X 7, 031020 (2017)]. Here, we show that its accuracy improves in presence of a small antiferromagnetic super-exchange $J_2$, leading to a finite region where the gapless spin liquid is stable; then, for $J_2/J_1=0.11(1)$, a first-order transition to a magnetic phase with pitch vector ${\bf q}=(0,0)$ is detected, by allowing magnetic order within the fermionic Hamiltonian. Instead, for small ferromagnetic values of $|J_2|/J_1$, the situation is more contradictory. While the U(1) Dirac state remains stable against several perturbations in the fermionic part (i.e., dimerization patterns or chiral terms), its accuracy clearly deteriorates on small systems, most notably on $36$ sites where exact diagonalization is possible. Then, upon increasing the ratio $|J_2|/J_1$, a magnetically ordered state with $\sqrt{3} \times \sqrt{3}$ periodicity eventually overcomes the U(1) Dirac spin liquid. Within the ferromagnetic $J_{2}$ regime, evidence is shown in favor of a first-order transition at $J_2/J_1=-0.065(5)$.

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arXiv2021

Magnetic field induced quantum spin liquid in the two coupled trillium lattices of K$_2$Ni$_2$(SO$_4$)$_3$

Quantum spin liquids are exotic states of matter which form when strongly frustrated magnetic interactions induce a highly entangled quantum paramagnet far below the energy scale of the magnetic interactions. Three-dimensional cases are especially challenging due to the significant reduction of the influence of quantum fluctuations. Here, we report the magnetic characterization of {\kni} forming a three dimensional network of Ni$^{2+}$ spins. Using density functional theory calculations we show that this network consists of two interconnected spin-1 trillium lattices. In the absence of a magnetic field, magnetization, specific heat, neutron scattering and muon spin relaxation experiments demonstrate a highly correlated and dynamic state, coexisting with a peculiar, very small static component exhibiting a strongly renormalized moment. A magnetic field $B \gtrsim 4$ T diminishes the ordered component and drives the system in a pure quantum spin liquid state. This shows that a system of interconnected $S=1$ trillium lattices exhibit a significantly elevated level of geometrical frustration.

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arXiv2021

Multiloop functional renormalization group approach to quantum spin systems

Renormalization group methods are well-established tools for the (numerical) investigation of the low-energy properties of correlated quantum many-body systems, allowing to capture their scale-dependent nature. The functional renormalization group (FRG) allows to continuously evolve a microscopic model action to an effective low-energy action as a function of decreasing energy scales via an exact functional flow equation, which is then approximated by some truncation scheme to facilitate computation. Here, we report on our transcription of a recently developed multiloop truncation approach for electronic FRG calculations to the pseudo-fermion functional renormalization group (pf-FRG) for interacting quantum spin systems. We discuss in detail the conceptual intricacies of the flow equations generated by the multiloop truncation, as well as essential refinements to the integration scheme for the resulting integro-differential equations. To benchmark our approach we analyze antiferromagnetic Heisenberg models on the pyrochlore, simple cubic and face-centered cubic lattice, discussing the convergence of physical observables for higher-loop calculations and comparing with existing results where available. Combined, these methodological refinements systematically improve the pf-FRG approach to one of the numerical tools of choice when exploring frustrated quantum magnetism in higher spatial dimensions.

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arXiv2020

Competing orders in a frustrated Heisenberg model on the Fisher lattice

We investigate the Heisenberg model on a decorated square (Fisher) lattice in the presence of first-neighbor $J_{1}$, second-neighbor $J_{2}$, and third-neighbor $J_{3}$ exchange couplings, with antiferromagnetic $J_{1}$. The classical ground-state phase diagram obtained within a Luttinger-Tisza framework is spanned by two antiferromagnetically ordered phases, and an infinitely degenerate antiferromagnetic chain phase. Employing classical Monte Carlo simulations we show that thermal fluctuations fail to lift the degeneracy of the antiferromagnetic chain phase. Interestingly, the spin-wave spectrum of the Néel state displays three Dirac nodal loops out of which two are symmetry protected while for the antiferromagnetic chain phase we find symmetry-protected Dirac lines. Furthermore, we investigate the spin $S=\frac{1}{2}$ limit employing a bond operator formalism which captures the singlet-triplet dynamics, and find a rich ground-state phase diagram host to a variety of valence bond solid orders in addition to antiferromagnetically ordered phases.

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arXiv2020

Degenerate manifolds, helimagnets, and multi-$\mathbf{Q}$ chiral phases in the classical Heisenberg antiferromagnet on the face-centered-cubic lattice

We present a detailed study of the ground state phase diagram of the classical frustrated Heisenberg model on the face-centered-cubic lattice. By considering exchange interactions up till third nearest neighbors, we find commensurate, helimagnetic, as well as noncollinear multi-{\bf Q} orders which include noncoplanar and chiral spin structures. We reveal the presence of subextensively degenerate manifolds that appear at triple points and certain phase boundaries in the phase diagram. Within these manifolds, the spin Hamiltonian can be recast as a complete square of spins on finite motifs, permitting us to identify families of exact ground state spin configurations in real space -- these include randomly stacked ferro- or antiferromagnetically ordered planes and interacting ferromagnetic chains, among others. Finally, we critically investigate the ramifications of our findings on the example of the Ising model, where we exactly enumerate all the states numerically for finite clusters.

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arXiv2020

Projective symmetry group classifications of quantum spin liquids on the simple cubic, body centered cubic, and face centered cubic lattices

We perform extensive classifications of $\mathbb{Z}_2$ quantum spin liquids on the simple cubic, body centered cubic, and face centered cubic lattices using a spin-rotation invariant fermionic projective symmetry group approach. Taking into account that all three lattices share the same point group $O_h$, we apply an efficient gauge where the classification for the simple cubic lattice can be partially carried over to the other two lattices. We identify hundreds of projective representations for each of the three lattices, however, when constructing short-range mean-field models for the fermionic partons (spinons) these phases collapse to only very few relevant cases. We self-consistently calculate the corresponding mean-field parameters for frustrated Heisenberg models on all three lattices with up to third neighbor spin interactions and discuss the spinon dispersions, ground state energies and dynamical spin structure factors. Our results indicate that phases with non-uniform spinon hopping or pairing amplitudes are energetically favored. An unusual situation is identified for the fcc lattice where the spinon dispersion minimizing the mean-field energy features a network of symmetry protected line-like zero modes in reciprocal space. We further discuss characteristic fingerprints of these phases in the dynamical spin structure factor which may help to identify and distinguish them in future numerical or experimental studies.

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arXiv2019

Breathing chromium spinels: a showcase for a variety of pyrochlore Heisenberg Hamiltonians

We address the long-standing problem of the microscopic origin of the richly diverse phenomena in the chromium breathing pyrochlore material family. Combining electronic structure and renormalization group techniques we resolve the magnetic interactions and analyze their reciprocal-space susceptibility. We show that the physics of these materials is principally governed by long-range Heisenberg Hamiltonian interactions, a hitherto unappreciated fact. Our calculations uncover that in these isostructural compounds, the choice of chalcogen triggers a proximity of the materials to classical spin liquids featuring degenerate manifolds of wave-vectors of different dimensions: A Coulomb phase with three-dimensional degeneracy for LiInCr4O8 and LiGaCr4O8, a spiral spin liquid with two-dimensional degeneracy for CuInCr4Se8 and one-dimensional line degeneracies characteristic of the face-centered cubic antiferromagnet for LiInCr4S8, LiGaCr4S8 and CuInCr4S8. The surprisingly complex array of prototypical pyrochlore behaviors we discovered in chromium spinels may inspire studies of transition paths between different semi-classical spin liquids by doping or pressure.

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arXiv2019

Affine lattice construction of spiral surfaces in classical Heisenberg models

Frustration in classical spin models can lead to degenerate ground states without long range order. In reciprocal space, these degeneracies appear as manifolds of wave vectors, their dimensionality increasing with the degree of frustration and the robustness of the disordered spin-liquid state. Here, we present a recipe to explicitly construct Heisenberg models on Bravais lattices with codimension-one manifolds, i.e., lines in two-dimensions and surfaces with different Euler characteristics in three-dimensions. Furthermore, we discuss the role of thermal and quantum fluctuations in stabilizing ordered states.

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arXiv2019

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

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, Néel, 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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arXiv2019

Quantum and Classical Phases of the Pyrochlore Heisenberg Model with Competing Interactions

We investigate the quantum Heisenberg model on the pyrochlore lattice for a generic spin $S$ in the presence of nearest-neighbor $J_{1}$ and second-nearest-neighbor $J_{2}$ exchange interactions. By employing the pseudofermion functional renormalization group method, we find, for $S=1/2$ and $S=1$, an extended quantum-spin-liquid phase centered around $J_{2}=0$, which is shown to be robust against the introduction of breathing anisotropy. The effects of temperature, quantum fluctuations, breathing anisotropies, and a $J_{2}$ coupling on the nature of the scattering profile, and the pinch points, in particular, are studied. For the magnetic phases of the $J_{1}$-$J_{2}$ model, quantum fluctuations are shown to renormalize phase boundaries compared to the classical model and to modify the ordering wave vectors of spiral magnetic states, while no new magnetic orders are stabilized.

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arXiv2018

Stability of the spiral spin liquid in MnSc$_2$S$_4$

We investigate the stability of the spiral spin liquid phase in MnSc$_2$S$_4$ against thermal and quantum fluctuations as well as against perturbing effects of longer-range interactions. Employing $ab~initio$ density functional theory (DFT) calculations we propose a realistic Hamiltonian for MnSc$_2$S$_4$, featuring second ($J_2$) and third $(J_3)$ neighbor Heisenberg interactions on the diamond lattice that are considerably larger than previously assumed. We argue that the combination of strong $J_2$ and $J_3$ couplings reproduces the correct magnetic Bragg peak position measured experimentally. Calculating the spin-structure factor within the pseudofermion functional-renormalization group technique we find that close to the magnetic phase transition the sizable $J_3$ couplings induce a strong spiral selection effect, in agreement with experiments. With increasing temperature the spiral selection becomes weaker such that in a window around three to five times the ordering temperature an approximate spiral spin liquid is realized in MnSc$_2$S$_4$.

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arXiv2018

Characterization of quantum spin liquids and their spinon band structures via functional renormalization

We combine the pseudofermion functional renormalization group (PFFRG) method with a self-consistent Fock-like mean-field scheme to calculate low-energy effective theories for emergent spinon excitations in spin-1/2 quantum spin liquids. Using effective spin interactions from PFFRG as an input for the Fock equation and allowing for the most general types of free spinon ansätze as classified by the projective symmetry group (PSG) method, we are able to systematically determine spinon band structures for spin-liquid candidate systems beyond mean-field theory. We apply this approach to the antiferromagnetic $J_1$-$J_2$ Heisenberg model on the square lattice and to the antiferromagnetic nearest-neighbor Heisenberg model on the kagome lattice. For the $J_1$-$J_2$ model, we find that in the regime of maximal frustration a SU(2) $π$-flux state with Dirac spinons yields the largest mean-field amplitudes. For the kagome model, we identify a gapless $\mathbb{Z}_2$ spin liquid with a small circular spinon Fermi surface and approximate Dirac-cones at low but finite energies.

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arXiv2018

Persistence of the gapless spin liquid in the breathing kagome Heisenberg antiferromagnet

The nature of the ground state of the spin $S=1/2$ Heisenberg antiferromagnet on the kagome lattice with breathing anisotropy (i.e., with different superexchange couplings $J_{\vartriangle}$ and $J_{\triangledown}$ within elementary up- and down-pointing triangles) is investigated within the framework of Gutzwiller projected fermionic wave functions and Monte Carlo methods. We analyze the stability of the U(1) Dirac spin liquid with respect to the presence of fermionic pairing that leads to a gapped $\mathbb{Z}_{2}$ spin liquid. For several values of the ratio $J_{\triangledown}/J_{\vartriangle}$, the size scaling of the energy gain due to the pairing fields and the variational parameters are reported. Our results show that the energy gain of the gapped spin liquid with respect to the gapless state either vanishes for large enough system size or scales to zero in the thermodynamic limit. Similarly, the optimized pairing amplitudes (responsible for opening the spin gap) are shown to vanish in the thermodynamic limit. Our outcome is corroborated by the application of one and two Lanczos steps to the gapless and gapped wave functions, for which no energy gain of the gapped state is detected when improving the quality of the variational states. Finally, we discuss the competition with the "simplex" $\mathbb{Z}_{2}$ resonating-valence-bond spin liquid, valence-bond crystal, and nematic states in the strongly anisotropic regime, i.e., $J_{\triangledown} \ll J_{\vartriangle}$.

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arXiv2017

Signatures of a gearwheel quantum spin liquid in a spin-$\frac{1}{2}$ pyrochlore molybdate Heisenberg antiferromagnet

We theoretically investigate the low-temperature phase of the recently synthesized Lu$_2$Mo$_2$O$_5$N$_2$ material, an extraordinarily rare realization of a $S=1/2$ three-dimensional pyrochlore Heisenberg antiferromagnet in which Mo$^{5+}$ are the $S=1/2$ magnetic species. Despite a Curie-Weiss temperature ($Θ_{\rm CW}$) of $-121(1)$ K, experiments have found no signature of magnetic ordering $or$ spin freezing down to $T^*\approx0.5$ K. Using density functional theory, we find that the compound is well described by a Heisenberg model with exchange parameters up to third nearest neighbors. The analysis of this model via the pseudofermion functional renormalization group method reveals paramagnetic behavior down to a temperature of at least $T=|Θ_{\rm CW}|/100$, in agreement with the experimental findings hinting at a possible three-dimensional quantum spin liquid. The spin susceptibility profile in reciprocal space shows momentum-dependent features forming a "gearwheel" pattern, characterizing what may be viewed as a molten version of a chiral noncoplanar incommensurate spiral order under the action of quantum fluctuations. Our calculated reciprocal space susceptibility maps provide benchmarks for future neutron scattering experiments on single crystals of Lu$_2$Mo$_2$O$_5$N$_2$.

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