We show how an accurate first-principles treatment of the canted-antiferromagnetic ground state of Sr$_2$IrO$_4$, a prototypical $5d$ correlated spin-orbit coupled material, can be obtained without invoking any free parameters such as the Hubbard U or tuning the spin-orbit coupling strength. Our theoretically predicted iridium magnetic moment of 0.250 $μ_B$, canted by 12.6$^{\circ}$ off the a-axis, is in accord with experimental results. By resolving the magnetic moments into their spin and orbital components, we show that our theoretically obtained variation of the magnetic scattering amplitude $<M_{m}>$ as a function of the polarization angle is consistent with recent non-resonant magnetic x-ray scattering measurements. The computed value of the band gap (55 meV) is also in line with the corresponding experimental values. A comparison of the band structure to that of the cuprates suggests the presence of incommensurate charge-density wave phases in Sr$_{2}$IrO$_{4}$.
SmS, a prototypical intermediate valence compound, has been studied by performing high-pressure nuclear magnetic resonance measurements on a $^{33}$S-enriched sample. The observation of an additional signal below 15-20 K above a nonmagnetic-magnetic transition pressure $P_{\rm c2} \approx 2$ GPa gives evidence of a magnetic transition. The absence of a Curie-term in the Knight shift near $P_{\rm c2}$ indicates that the localized character of $4f$ electrons is entirely screened and the mechanism of the magnetic ordering is not described within a simple localized model. Simultaneously, the line …
We have succeeded in growing single crystals of SmPt2Si2 and have performed electrical resistivity, magnetization and specific heat measurements. The magnetic susceptibility shows that SmPt2Si2 is an Ising magnet with the crystalline-electric-field ground state of Jz=+-3/2. We have found the existence of two magnetically ordered states, i.e., an antiferromagnetically (AFM) ordered phase (I) setting in at TN=5.1 K and a field-induced magnetization plateau phase (II). In the phase I, unlike the usual AFM states, a pronounced Curie-Weiss contribution remains in magnetic susceptibility, indicating…
In a magnetically driven electronic nematic state, an externally applied uniaxial strain rounds the nematic transition and increases the magnetic transition temperature. We study both effects in a simple classical model of the iron-pnictides expressed in terms of local SO(N) spins (with N = 3) which we solve to leading order in 1=N. The magnetic transition temperature is shown to increase linearly in response to an external strain while a sharp crossover, which is a remnant of the nematic transition, can only be identified for extremely small strain. We show that these results can reasonably a…
The magnetically ordered states of the A-site ordered perovskite manganites LaBaMn2O6 and YBaMn2O6 have been investigated by muon spin relaxation in zero external magnetic field. Our data reveal striking differences in the nature of the magnetically ordered state of these materials. For LaBaMn2O6, the muSR time-spectra in the ferromagnetic state below ~ 330 K reveal a strongly inhomogeneous phase, reminiscent of a Griffiths phase. Within this magnetically inhomogeneous phase, an antiferromagnetic state develops below 150 K, which displays well defined static internal magnetic fields, but reach…
A new charge-ordered magnetically frustrated mixed-metal fluoride with a pyrochlore-related structure has been synthesized and characterized. The material, RbFe2F6 (RbFe2+Fe3+F6) was synthesized through mild hydrothermal conditions. The material exhibits a three-dimensional pyrochlore-related structure consisting of corner-shared Fe2+F6 and Fe3+F6 octahedra. In addition to single crystal diffraction data, neutron powder diffraction and magnetometry measurements were carried out. Magnetic data clearly reveal strong antiferromagnetic interactions (a Curie-Weiss temperature of -270 K) but suffici…
Li$_2$Sr[MnN]$_2$ single crystals were successfully grown out of Li rich flux. The crystal structure was determined by single crystal X-ray diffraction and revealed almost linear $-$N$-$Mn$-$N$-$Mn$-$ chains as central structural motif. Tetragonal columns of this air and moisture sensitive nitridomanganate were employed for electrical transport, heat capacity, and anisotropic magnetization measurements. Both the electronic and magnetic properties are most remarkable, in particular the linear increase of the magnetic susceptibility with temperature that is reminiscent of underdoped cuprate and …
We report specific heat and neutron scattering experiments performed on the system Ce$_{1-x}$La$_{x}$Ru$_{2}$Si$_{2}$ on the magnetic side of its quantum critical phase diagram. The Kondo temperature does not vanish at the quantum phase transition and elastic scattering indicates a gradual localisation of the magnetism when $x$ increases in the ordered phase.
We present inelastic neutron scattering experiments on the $S=1/2$ frustrated gapped quantum magnet piperazinium hexachlorodicuprate under applied hydrostatic pressure. These results show that at 9 kbar the magnetic triplet excitations in the system are gapless, contrary to what was previously reported. We show that the changes in the excitation spectrum can be primarily attributed to the change in a single exchange pathway.
Recently, there have been contrary claims of Kitaev spin-liquid behaviour and ordered behavior in the honeycomb compound Ag$_3$LiIr$_2$O$_6$ based on various experimental signatures. Our investigations on this system reveal a low-temperature ordered state with persistent dynamics down to the lowest temperatures. Magnetic order is confirmed by clear oscillations in the muon spin relaxation ($μ$SR) time spectrum below 9 K till 52 mK. Coincidentally in $^7$Li nuclear magnetic resonance, a wipe-out of the signal is observed below $\sim$ 10 K which again strongly indicates magnetic order in the low…
Using an effective one-band Hubbard model with disorder, we consider magnetic states of the correlated oxide interfaces, where effective hole self-doping and a magnetially ordered state emerge due to electronic and ionic reconstructions. By employing the coherent potential approximation, we analyze the effect of random oxygen vacancies on the two-dimensional magnetism. We find that the random vacancies enhance the ferromagnetically ordered state and stabilize a robust magnetization above a critical vacancy concentration of about c=0.1. In the strong-correlated regime, we also obtain a nonmonot…
A spin version of dynamical mean-field theory is extended for magnetically ordered states in the Heisenberg model. The self-consistency equations are solved with high numerical accuracy by means of the continuous-time quantum Monte Carlo with bosonic baths coupled to the spin. The resultant solution is critically tested by known physical properties. In contrast with the mean-field theory, soft paramagnons appear near the transition temperature. Moreover, the Nambu-Goldstone mode (magnon) in the ferromagnetic phase is reproduced reasonably well. However, antiferromagnetic magnons have an energy…
We report that special care is needed when longitudinal magnetic susceptibility is computed in a magnetically ordered phase, especially in metals. We demonstrate this by studying static susceptibility in both a ferromagnetic and an antiferromagnetic state in the random phase approximation to the two-dimensional Hubbard model on a square lattice. In contrast to the case in the disordered phase, a first derivative of the chemical potential (or the density) with respect to a magnetic field does not vanish in a magnetically ordered phase when the field is applied parallel to the magnetic moment. T…
The Fe(1+x)Sb compound has been synthesized close to stoichiometry with x = 0.023(8). The compound was investigated by 57Fe Mössbauer spectroscopy in the temperature range 4.2 - 300 K. The antiferromagnetic ordering temperature was found as 232 K i.e. much higher than for the less stoichiometric material. Regular iron was found to occupy two different positions in proportion 2:1. They differ by the electric quadrupole coupling constants and both of them exhibit extremely anisotropic electric field gradient tensor (EFG) with the asymmetry parameter equal one. The negative component of both EFGs…
We show that, in antiferromagnetic superconductors, the optical spectral weight transferred to low frequencies below the superconducting transition temperature originates from energies that can be much larger than twice the superconducting gap $Δ$. This contrasts to non-magnetic superconductors, where the optical spectrum is suppressed only for frequencies below $2Δ$. In particular, we demonstrate that the superfluid condensate of the magnetically ordered superconductor is not only due to states of the magnetically reconstructed Fermi surface, but is enhanced by transfer of spectral weight fro…
We study a generalized quantum spin ladder with staggered long range interactions that decay as a power-law with exponent $α$. Using large scale quantum Monte Carlo (QMC) and the density matrix renormalization group (DMRG) simulations, we show that this model undergoes a transition from a rung-dimer phase characterized by a non-local string order parameter, to a symmetry broken Néel phase. We find evidence that the transition is second order.In the magnetically ordered phase, the spectrum exhibits gapless modes, while excitations in the gapped phase are well described in terms of triplons -- b…
We study a generalized quantum spin ladder with staggered long range interactions that decay as a power-law with exponent $α$. Using large scale quantum Monte Carlo (QMC) and density matrix renormalization group (DMRG) simulations, we show that this model undergoes a transition from a rung-dimer phase characterized by a non-local string order parameter, to a symmetry broken Néel phase. We find evidence that the transition is second order. In the magnetically ordered phase, the spectrum exhibits gapless modes, while excitations in the gapped phase are well described in terms of triplons -- boun…
It is a long-standing important issue in heavy fermion physics whether $f$-electrons are itinerant or localized when the magnetic order occurs. Here we report the {\it in situ} scanning tunneling microscopy observation of the electronic structure in epitaxial thin films of CeRhIn$_5$, a prototypical heavy fermion compound with antiferromagnetic ground state. The conductance spectra above the Néel temperature $T_N$ clearly resolve the energy gap due to the hybridization between local 4$f$ electrons and conduction bands as well as the crystal electric field excitations. These structures persist …
Recent experimental developments in the iron pnictides have unambiguously demonstrated the existence of in-plane electronic anisotropy in the absence of the long-range magnetic order. Such anisotropy can arise from orbital ordering, which is described by an energy splitting between the two otherwise degenerate $d_{xz}$ and $d_{yz}$ orbitals. By including this phenomenological orbital order into a five-orbital Hubbard model, we obtain the mean-field solutions where the magnetic order is determined self-consistently. Despite sensitivity of the resulting states to the input parameters, we find th…
We discuss a quantum transition from a superfluid to a Mott glass phases in disordered Bose-systems by the example of an isotropic spin-$\frac12$ antiferromagnet with spatial dimension $d\ge2$ and with disorder in tunable exchange couplings. Our analytical consideration is based on general properties of a system in critical regime, on the assumption that the magnetically order part of the system shows fractal properties near the transition, and on a hydrodynamic description of long-wavelength magnons in the magnetically ordered ("superfluide") phase. Our results are fully consistent with a sca…
The ratio of orbital (L) and spin (S) contributions to the magnetically ordered moments of a 5d transition metal oxide, Sr2IrO4 was evaluated by non-resonant magnetic x-ray diffraction. We applied a new experimental setting to minimize the error in which we varied only the linear-polarization of incident x-ray at a fixed scattering angle. Strong polarization dependence of the intensity of magnetic diffraction was observed, from which we conclude that the ordered moments contain substantial contribution from the orbital degree of freedom with the ratio of <L>/<S> ~5.0, evidencing the pronounce …
Peculiarities of optical absorption spectra of NdFe$_3$(BO$_3$)$_4$ crystal in magnetically ordered state and at the transition to spiral magnetic phase
Neutron scattering measurements have been performed on deuterated powder samples of claringbullite and Zn-doped claringbullite (Zn$_x$Cu$_{4-x}$(OD)$_{6}$FCl). At low temperatures, claringbullite Cu$_4$(OD)$_{6}$FCl forms a distorted pyrochlore lattice with long-range magnetic order and spin-wave-like magnetic excitations. Partial Zn doping leads to the nominal ZnCu$_3$(OD)$_{6}$FCl compound, a geometrically frustrated spin-1/2 kagome antiferromagnet that shows no transition to magnetic order down to 1.5 K. The magnetic excitations form a gapless continuum, a signature of fractional excitation…
We develop a theory of the correlated magnetically ordered insulating state at the edge of a two-dimensional topological insulator. We demonstrate that the gapped spin-polarized state, induced by the application of the magnetic field $B$, is naturally facilitated by electron interactions, which drive the critical easy-plane ferromagnetic correlations in the helical liquid. As the key manifestation, the gap $\De$ in the spectrum of collective excitations, which carry both spin and charge, is enhanced and exhibits a scaling dependence $\De \propto B^{1/(2-K)}$, controlled by the Luttinger liquid…
The magnetic and quadrupolar ordered states of polycrystalline YbRu2Ge2 have been investigated using zero-field muon spin relaxation (μSR) and neutron diffraction measurements. Specific heat measurements show three successive phase transitions, with decreasing temperature from a paramagnetic to a quadrupolar state at T0 ~ 10 K, from the quadrupolar to a magnetic state at T1 ~ 6.5 K and a possible change in the magnetic ground state at T2 ~ 5.5 K. Clear evidence for the magnetic transition below 7 K (spectrum at 8 K reveals paramagnetic state) and a likely change in the magnetic structure near …
We explore topological states with magnetic order in heavy-fermion systems by taking account of a mirror symmetry.Although without spatial symmetry, there is no topological phase in the two-dimensional (2D) antiferromagnetic phases at half filling, we demonstrate that a topological phase emerges in the presence of mirror symmetry.This is explicitly shown for a two-dimensional periodic Anderson model.Furthermore, our analysis around quarter filling shows that a half-metallic state emerges in the ferromagnetic phase, where a spin-selective gap opens, resulting in nontrivial properties characteri…
We use two recently proposed methods to calculate exactly the spectrum of two spin-${1\over 2}$ charge carriers moving in a ferromagnetic background, at zero temperature, for three types of models. By comparing the low-energy states in both the one-carrier and the two-carrier sectors, we analyze whether complex models with multiple sublattices can be accurately described by simpler Hamiltonians, such as one-band models. We find that while this is possible in the one-particle sector, the magnon-mediated interactions which are key to properly describe the two-carrier states of the complex model …
Recent neutron scattering experiments suggested that frustrated magnetic interactions give rise to antiferromagnetic spiral and fractional skyrmion lattice phases in MnSc$_2$S$_4$. Here, to trace the signatures of these modulated phases, we studied the spin excitations of MnSc$_2$S$_4$ by THz spectroscopy at 300 mK up to 12 T. We found a single magnetic resonance with linearly increasing frequency in field. The corresponding $g$-factor of Mn$^{2+}$ ions $g$ = 1.96, and the absence of other resonances imply very weak anisotropies and negligible contribution of higher harmonics to the spiral sta…
The dimerized S=1/2 spins of the Cu ions in TlCuCl3 are ordered antiferromagnetically in the presence of a field larger than about 54 kOe in the zero-temperature limit. Within the mean-field approximation all thermal effects are frozen out below 6 K. Nevertheless, experiments show significant changes of the critical field and the magnetization below this temperature, which reflect the presence of low-energetic dimer-spin excitations. We calculate the dimer-spin correlation functions within a self-consistent random-phase approximation, using as input the effective exchange coupling parameters o…
We present an experimental study of macroscopic and microscopic magnetic anisotropy of a spin tetramer system \cso using torque magnetometry and ESR spectroscopy. Large rotation of macroscopic magnetic axes with temperature observed from torque magnetometry agrees reasonably well with the rotation of the $\mathbf{g}$ tensor above $T \gtrsim 50$~K. Below 50~K, the $\mathbf{g}$ tensor is temperature independent, while macroscopic magnetic axes continue to rotate. Additionally, the susceptibility anisotropy has a temperature dependence which cannot be reconciled with the isotropic Heisenberg mode…
Spin wave excitations and stability of the (0,pi) ordered SDW state are investigated within the minimal two-band model for iron pnictides including a Hund's coupling term. The SDW state is shown to be stable in two distinct doping regimes --- finite hole doping in the lower SDW band for small second neighbour hoppings, and small electron doping in the upper SDW band for comparable first and second neighbour hoppings. In both cases, Hund's coupling strongly stabilizes the SDW state due to generation of additional ferromagnetic spin couplings involving the inter-orbital part of the particle-hole…
By the first-principles electronic structure calculations, we find that the ground state of the Fe-vacancies ordered TlFe$_{1.5}$Se$_2$ is a quasi-two-dimensional collinear antiferromagnetic semiconductor with an energy gap of 94 meV, in agreement with experimental measurements. This antiferromagnetic order is driven by the Se-bridged antiferromagnetic superexchange interactions between Fe moments. Similarly, we find that crystals AFe$_{1.5}$Se$_2$ (A=K, Rb, or Cs) are also antiferromagnetic semiconductors but with a zero-gap semiconducting state or semimetallic state nearly degenerated with t…
Inelastic light scattering studies on single crystals of (Na$_{1-x}$Li$_x$)$_2$IrO$_3$ ($x = 0, 0.05$ and $0.15$) show a polarization independent broad band at $\sim $~2750 cm$^{-1}$ with a large band-width $\sim 1800$~cm$^{-1}$. For Na$_2$IrO$_3$ the broad band is seen for temperatures $ \leq 200$~K and persists inside the magnetically ordered state. For Li doped samples, the intensity of this mode increases, shifts to lower wave-numbers and persists to higher temperatures. Such a mode has recently been predicted (Knolle et.al.) as a signature of the Kitaev spin liquid. We assign the observat…
Electronic structure calculations obtained with an approach with density functional theory with an enhanced local Coulomb interaction, DFT+$U$, are presented for the relativistic magnetic insulator Sr$_{2}$IrO$_{4}$. The results are in accordance with experiments with a band gap and a small moment anti-ferromagnetic ground state. This solution is thereafter thoroughly analyzed in terms of Landau theory where it is found that the ordered magnetic moments only form a secondary order parameter while the primary order parameter is a higher order magnetic multipole of rank five. It is further obser…
Interaction-driven metal-insulator transitions or Mott transitions are widely observed in condensed-matter systems. In multi-orbital systems, many-body physics is richer in which an orbital-selective metal-insulator transition is an intriguing and unique phenomenon. Here we use first-principles calculations to show that a magnetic transition (from paramagnetic to long-range magnetically ordered) can simultaneously induce an orbital-selective insulator-metal transition in rock-salt ordered double perovskite oxides $A_2BB'$O$_6$ where $B$ is a non-magnetic ion (Y$^{3+}$ and Sc$^{3+}$) and $B'$ a…
Spin waves in (0,pi) and (0,pi,pi) ordered spin-density-wave (SDW) states of the t-t' Hubbard model are investigated at finite doping. In the presence of small t', these composite ferro-antiferromagnetic (F-AF) states are found to be strongly stabilized at finite hole doping due to enhanced carrier-induced ferromagnetic spin couplings as in metallic ferromagnets. Anisotropic spin-wave velocities, spin-wave energy scale of around 200meV, reduced magnetic moment, and rapid suppression of magnetic order with electron doping x (corresponding to F substitution of O atoms in La O_{1-x} F_x Fe As or …
We present a general theory of multiorbital spin waves in magnetically ordered metallic systems. Motivated by the itinerant magnetism of iron-based superconductors, we compare the magnetic excitations for two different scenarios: when the magnetic order either sets in on the on-site orbital level; or when it appears as an electron-hole pairing between different bands of electron and hole character. As an example we treat the two-orbital model for iron-based superconductors. For small magnetic moments the spin excitations look similar in both scenarios. Going to larger interactions and larger m…
A Heisenberg model over the square lattice recently introduced by Si and Abrahams to describe local-moment magnetism in the new class of Fe-As high-Tc superconductors is analyzed in the classical limit and on a small cluster by exact diagonalization. In the case of spin-1 iron atoms, large enough Heisenberg exchange interactions between neighboring spin-1/2 moments on different iron 3d orbitals that frustrate true magnetic order lead to hidden magnetic order that violates Hund's rule. It accounts for the low ordered magnetic moment observed by elastic neutron diffraction in an undoped parent c…
We study critical properties of the Kitaev-Heisenberg model on the honeycomb lattice at finite temperatures which might describe the physics of the quasi two-dimensional compounds, Na$_2$IrO$_3$ and Li$_2$IrO$_3$. The model undergoes two phase transitions as a function of temperature. At low temperature, thermal fluctuations induce magnetic long-range order by order-by-disorder mechanism. Magnetically ordered state with the spontaneously broken $Z_6$ symmetry persists up to a certain critical temperature. We find that there is an intermediate phase between the low-temperature ordered phase and…
