We identify two "universality" classes in the Coulomb frustrated phase separation phenomenon. They correspond to two different kind of electronic compressibility anomalies often encountered in strongly correlated electronic systems. We discuss differences and similarities of their corresponding phase diagrams in two- and three-dimensional systems.
FeF$_3$, with its half-filled Fe$^{3+}$ $3d$ orbital, hence zero orbital angular momentum and $S=5/2$, is often put forward as a prototypical highly-frustrated classical Heisenberg pyrochlore antiferromagnet. By employing {\it ab initio} density functional theory (DFT), we obtain an effective spin Hamiltonian for this material. This Hamiltonian contains nearest-neighbor antiferromagnetic Heisenberg, bi-quadratic and Dzyaloshinskii-Moriya interactions as dominant terms and we use Monte Carlo simulations to investigate the nonzero temperature properties of this minimal model. We find that upon d…
The pyrochlore material Nd$_2$Zr$_2$O$_7$ with an "all-in-all-out" (AIAO) magnetic order shows novel quantum moment fragmentation with gapped flat dynamical spin ice modes. The parameterized spin Hamiltonian with a dominant frustrated ferromagnetic transverse term reveals a proximity to a U(1) spin liquid. Here we study magnetic excitations of Nd$_2$Zr$_2$O$_7$ above the ordering temperature ($T_\text{N}$) using high-energy-resolution inelastic neutron scattering. We find strong spin ice correlations at zero energy with the disappearance of gapped magnon excitations of the AIAO order. It seems…
We show that introducing long-range Coulomb interactions immediately lifts the massive ground state degeneracy induced by geometric frustration for electrons on quarter-filled triangular lattices in the classical limit. Important consequences include the stabilization of a stripe-ordered crystalline (global) ground state, but also the emergence of very many low-lying metastable states with amorphous "stripe-glass" spatial structures. Melting of the stripe order thus leads to a frustrated Coulomb liquid at intermediate temperatures, showing remarkably slow (viscous) dynamics, with very long rel…
We have considered the model of the phase transition of the second order for the Coulomb frustrated 2D charged system. The coupling of the order parameter with the charge was considered as the local temperature. We have found that in such system, an appearance of the phase-separated state is possible. By numerical simulation, we have obtained different types ("stripes", "rings", "snakes") of phase-separated states and determined the parameter ranges for these states. Thus the system undergoes a series of phase transitions when the temperature decreases. First, the system moves from the homogen…
We study the formation of magnetic clusters in frustrated magnets in their cooperative paramagnetic regime. For this purpose, we consider the $J_1$-$J_2$-$J_3$ classical Heisenberg model on kagome and pyrochlore lattices with $J_2 = J_3=J$. In the absence of farther-neighbor couplings, $J=0$, the system is in the Coulomb phase with magnetic correlations well characterized by pinch-point singularities. Farther-neighbor couplings lead to the formation of magnetic clusters, which can be interpreted as a counterpart of topological-charge clusters in Ising frustrated magnets [T. Mizoguchi, L. D. C.…
The interplay of non-local Coulomb repulsion and Hund's coupling in the d-orbital manifold in frustrated triangular lattices is analyzed by a mutliband extended Hubbard model. We find a rich phase diagram with several competing phases, including a robust pinball liquid phase, which is an unconventional metal characterized by threefold charge order, bad metallic behavior and the emergence of high spin local moments. Our results naturally explain the anomalous charge-ordered metallic state observed in the triangular layered compound AgNiO2. The potential relevance to other triangular transition …
Magnetic skyrmions are whirls in the magnetization whose topological winding number promises stability against thermal fluctuations and defects. They can only decay via singular spin configurations. We analyze the corresponding energy barriers of skyrmions in a magnetic monolayer for two distinct stabilization mechanisms, i.e., Dzyaloshinskii-Moriya interaction (DMI) and competing interactions. Based on our numerically calculated collapse paths on an atomic lattice, we derive analytic expressions for the saddle point textures and energy barriers of large skyrmions. The sign of the spin stiffne…
A necessary condition for superconductivity (SC) driven by electron correlations is that electron-electron (e-e) interactions enhance superconducting pair-pair correlations, relative to the noninteracting limit. We report high-precision numerical calculations of the ground state within the frustrated two-dimensional (2D) Hubbard Hamiltonian for a wide range of carrier concentration $ρ$ (0 < $ρ$ <1) per site. We find that long range superconducting pair correlations are enhanced only for $ρ$ $\simeq$ 0.5. At all other fillings e-e interactions mostly suppress pair correlations. The enhancement …
Spin liquids are exotic phases of matter that often support emergent gauge fields and quasi-particle excitations. While spin liquids are commonly known for remaining disordered, their definition has been extended to include phases with broken symmetry corresponding to (partial) long-range order, such as chiral and nematic spin liquids for example. For Coulomb spin liquids, this ordering can be quantitatively understood via a Helmholtz decomposition between divergence-free and divergence-full terms. This phenomenon has been coined fragmentation, where spin degrees of freedom fragment into two c…
Magnetic frustrations in two-dimensional materials provide a rich playground to engineer unconventional phenomena such as non-collinear magnetic order and quantum spin-liquid behavior. However, despite intense efforts, a realization of tunable frustrated magnetic order in two-dimensional materials remains an open challenge. Here we propose Coulomb engineering as a versatile strategy to tailor magnetic ground states in layered materials. Using the proximal quantum spin-liquid candidate 1T-TaS$_2$ as an example, we show how long-range Coulomb interactions renormalize the low energy nearly flat b…
We show that the highly frustrated transverse-field Ising model on the three-dimensional pyrochlore lattice realizes a first-order phase transition without symmetry breaking between the low-field Coulomb quantum spin liquid and the high-field polarized phase. The quantum phase transition is located quantitively by comparing low- and high-field series expansions. Furthermore, the intriguing properties of the elementary excitations in the polarized phase are investigated. We argue that this model can be achieved experimentally by applying mechanical strain to a classical spin ice material compri…
Continuous magnetic phase transition in half-frustrated Ca2Os2O7
我们提出的比热，磁化强度，光谱测量和第一性原理计算的Weberite结构的Ca 2 Os 2 O 7单晶/多晶样品。Ca_2Os_2O_7在高温下表现出Curie-Weiss性质，冷却后在327 K时进入亚铁磁绝缘状态。在比热为327 K时观察到一个类λ峰，表明存在二级相变。在低温下消失的电子比热表明一个完整的能隙。在高于转变温度的高温下，观察到了少量寿命短的巡游载流子，在20 K时产生禁带，直接禁带宽度为0：24 eV。我们的第一性原理计算表明，具有中等库仑排斥U的反铁磁关联能有效地分裂Os（4 b）t2 g带，并将其推离费米能级（EF）.另一方面，需要非共线磁相互作用来将Os（4c）带推离EF，这可能由Os（4c）-Os（4c）阻挫引起。因此，AFM关联、库仑排斥U和非共线相互作用对Ca 2 Os 2 O 7的绝缘基态都起着重要的作用。
An overview on the phase diagram of the frustrated two-leg ladder model
利用密度矩阵重整化群，我们研究了具有Heisenberg相互作用的两足阶梯的一般相图。我们确认，所有的反铁磁带隙态属于相同的普适类的Halfoxin相。在三维相图中，我们确定了一个连续的表面与奇异的字符串-序参量或其一阶导数，对应于两个Haldron相位之间的过渡具有不同的拓扑顺序。这个过渡曲面的某些部分是临界的，带隙为零，弦序参量为零。在互补部分，跃迁是一阶的，具有有限的间隙和弦序。这个表面与铁磁区域的边界是临界端线，当表面是临界的时，并且在其他任何地方是三线。该边界的一部分与D. V. Dmitriev、V. Ya Krivnov和A.A. Ovchinnikov [Phys.Rev.B56，5985（1997）]。
The role of the multiorbital effects on the emergence of frustrated electronic orders on the triangular lattice at half filling is investigated through an extended spinless fermion Hubbard model. By using two complementary approaches, unrestricted Hartree-Fock and exact diagonalizations, we unravel a very rich phase diagram controlled by the strength of both local and off-site Coulomb interactions and by the interorbital hopping anisotropy ratio $t'/t$. Three robust unconventional electronic phases, a pinball liquid, an inverse pinball liquid, and a large-unit-cell $\sqrt{12} \times \sqrt{12}$…
Based on Kitaev-Heisenberg model with Dzyaloshinskii-Moriya (DM) interactions, we studied nature of possible magnetic phases in frustrated hyperkagome iridate, Na$_4$Ir$_{3}$O$_8$ (Na-438). Using Monte-Carlo simulation, we showed that the phase diagram is mostly covered by two competing magnetic ordered phases; Z$_2$ symmetry breaking (SB) phase and Z$_6$ SB phase, latter of which is stabilized by the classical order by disorder. These two phases are separated by a first order phase transition line with Z$_8$-like symmetry. The critical nature at the Z$_6$ SB ordering temperature is characteri…
Orbital ordering in the geometrically frustrated MgV$_2$O$_4$: \emph{Ab initio} electronic structure calculations
根据最近对MgV $_2$ O $_4$的有趣的实验工作，我们采用密度泛函理论研究了不同的相互作用参数在决定其电子和磁性方面所起的关键作用.在反铁磁（AFM）耦合的存在下，强库仑关联是负责绝缘基态。在基态，$d_{xz}$和$d_{yz}$轨道是有序的，并且链内钒离子是反铁磁耦合的。计算给出了小的自旋轨道耦合（SOC），其提供了$\sim11.3^0$相对于z轴的磁矩的倾斜。在弱SOC和强交换耦合的情况下，实验观察到的小磁矩和低AFM转变温度似乎是由于自旋涨落引起的几何阻挫的活性。
Extended Ashkin-Teller transition in two coupled frustrated Haldane chains
Kavli Institute of Nanoscience, Delft University of Technology（代尔夫特理工大学卡弗里纳米科学研究所）；Rudolf Peierls Centre for Theoretical Physics, University of Oxford（牛津大学鲁道夫·派尔斯理论物理中心）
We determine the phase diagram of the Kane-Mele model with a long-range Coulomb interaction using an exact quantum Monte Carlo method. Long-range interactions are expected to play a role in honeycomb materials because the vanishing density of states in the semimetallic weak-coupling phase suppresses screening. According to our results, the Kane-Mele-Coulomb model supports the same phases as the Kane-Mele-Hubbard model. The nonlocal part of the interaction promotes short-range sublattice charge fluctuations, which compete with antiferromagnetic order driven by the onsite repulsion. Consequently…
By using extensive tensor network calculations, we map out the phase diagram of the frustrated $J_1$-$J_2$ Ising model on the square lattice. In particular, we focus on the cases with controversy in the phase diagram, especially the stripe transition in the regime $g = |J_2/J_1|>\frac{1}{2}$, $(J_2>0,J_1<0)$. While recent studies claimed that the phase transition is of first order when $\frac{1}{2}<g<g^*$ (with the smallest $g^*$ being $0.67$), our simulations suggest that if there is such a first-order region, it is smaller than those found in earlier studies by other methods. Combining with …
We thoroughly examine the ground state of the triangular lattice of Pb on Si(111) using scanning tunneling microscopy. We detect charge-order, accompanied by a subtle structural reconstruction. Applying the extended variational cluster approach we map out the phase diagram as a function of local and non-local Coulomb interactions. Comparing the experimental data with the theoretical modeling leads us to conclude that electron correlations are the driving force of the charge-ordered state in Pb/Si(111), rather than Fermi surface nesting. These results resolve the discussion about the origin of …
We explore the possibility of a Berezinskii-Kosterlitz-Thouless-like critical phase for the charge degrees of freedom in the intermediate-temperature regime between the charge-ordered and disordered phases in two-dimensional systems with competing short-range Coulomb repulsion. As the simplest example, we investigate the extended Hubbard model with on-site and nearest-neighbor Coulomb interactions on a triangular lattice at half filling in the atomic limit by using a classical Monte Carlo method, and find a critical phase, characterized by algebraic decay of the charge correlation function, be…
