A scheme to calculate the electronic structure of systems having a spiral magnetic structure is presented. The approach is based on the KKR (Korringa-Kohn-Rostoker) Green's function formalism which allows in combination with CPA (Coherent Potential Approximation) alloy theory to deal with chemically disordered materials. It is applied to the magnetic random alloys Fe$_x$Ni$_{1-x}$, Fe$_x$Co$_{1-x}$ and Fe$_x$Mn$_{1-x}$. For these systems the stability of their magnetic structure was analyzed. For Fe$_x$Ni$_{1-x}$ the spin stiffness for was determined as a function of concentration that was found in satisfying agreement with experiment. Performing spin spiral calculations the longitudinal momentum-dependent magnetic susceptibility was calculated for pure elemental systems (Cr, Ni) being in non-magnetic state as well as for random alloys (Ag$_x$Pt$_{1-x}$). The obtained susceptibility was used to analyze the stability of the paramagnetic state of these systems.
We have succeeded in preparing A-site ordered- and disordered-Y1/4Sr3/4CoO3-d with various oxygen deficiencies delta, and have made comparative study of their structural and physical properties. In the A-site ordered structure, oxygen vacancies order, and d = 0.34 sample shows a weak ferromagnetic transition beyond 300 K. On the other hand, in the A-site disordered structure, no oxygen vacancy ordering is observed, and d = 0.16 sample shows a ferromagnetic metallic transition around 150 K. A-site disordering destroys the orderings of oxygen-vacancies and orbitals, leading to the strong modific…
We study the fate of spin-1/2 spiral-ordered two-dimensional quantum antiferromagnets that are disordered by quantum fluctuations. A crucial role is played by the topological point defects of the spiral phase, which are known to have a Z2 character. Previous works established that a nontrivial quantum spin-liquid phase results when the spiral is disordered without proliferating the Z2 vortices. Here, we show that when the spiral is disordered by proliferating and condensing these vortices, valence-bond solid ordering occurs due to quantum Berry phase effects. We develop a general theory for th…
We use a recently proposed perturbative numerical renormalization group algorithm to investigate ground-state properties of a frustrated three dimensional Heisenberg model on an anisotropic lattice. We analyze the ground state energy, the finite size spin gap and the static magnetic structure factor. We find in two dimensions a frustration-induced gapless spin liquid state which separates two magnetically ordered phases. In the spin liquid state, the magnetic structure factor shows evidence that this state is made of nearly disconnected chains. This spin liquid state is unstable against unfrus…
We have prepared crystallographically ordered and disorder specimens of the double perovskite, Sr$_2$FeMoO$_6$ and investigated their magnetoresistance behaviour. The extent of ordering between the Fe and Mo sites in the two samples is determined by Rietveld analysis of powder x-ray diffraction patterns and reconfirmed by Mössbauer studies. While the ordered sample exhibits the sharp low-field response, followed by moderate changes in the magnetoresistance at higher fields, the disordered sample is characterised by the absence of the spectacular low-field response. We argue that the low field …
Besides a drastic reduction in saturation magnetization of disordered Sr2FeMoO6 compared to highly ordered samples, magnetizations as a function of the temperature for different disordered samples may also show qualitatively different behaviors. We investigate the origin of such diversity by performing spatially resolved photoemission spectroscopy on various disordered samples. Our results establish that extensive electronic inhomogeneity, arising most probably from an underlying chemical inhomogeneity in disordered samples is responsible for the observed magnetic inhomogeneity. It is further …
The Doniach's diagram has been originally proposed to describe the competition between the local Kondo effect and the intersite RKKY interactions in cerium compounds. Here we discuss the extension of this diagram to different variations of Kondo lattice model. We consider a) ordered cerium compounds where the competition between magnetic order and Kondo effect plays an important role, as $CeRh_2Si_2$, b) disordered cerium systems with competing spin glass phase, magnetic ordered phases and a Kondo phase, as the heavy fermion cerium alloy $CeCu_xNi_{1-x}$ and, c) uranium compounds where a coexi…
We report the observation of a magnetic-field-induced transition between magnetically disordered and ordered phases in slightly under-doped La(2-x)SrxCuO4 with x=0.144. Static incommensurate spin-density-wave order is induced above a critical field of about 3 T, as measured by elastic neutron scattering. Our results allow us to constrain the location of a quantum critical point on the phase diagram.
The discovery of novel structural and physical properties in the $A$-site ordered manganite $R$BaMn$_2$O$_6$ ($R$ = Y and rare earth elements) has demanded new comprehension about perovskite manganese oxides. In the present study, the $A$-site disordered form $R$$_{0.5}$Ba$_{0.5}$MnO$_3$ was successfully synthesized and compared with $R$BaMn$_2$O$_6$ in the structures and electromagnetic properties. $R$$_{0.5}$Ba$_{0.5}$MnO$_3$ has a primitive cubic perovskite cell. Unexpectedly the magnetic glassy states are dominant as the ground state for $R$$_{0.5}$Ba$_{0.5}$MnO$_3$. A peculiar behavior, t…
We study the magnetic Compton profile (MCP) of the disordered Fe$_{0.5}$Ni$_{0.5}$ and of the ordered FeNi alloys and discuss the interplay between structural disorder and electronic correlations. The Coherent Potential Approximation is employed to model the substitutional disorder within the single-site approximation, while local electronic correlations are captured with the Dynamical Mean Field Theory. Comparison with the experimental data reveals the limitation of local spin-density approximation in low momentum region, where we show that including local but dynamic correlations the experim…
General conditions in which disordered, spin liquid, and valence-bond ordered phases occur in quantum Ising antiferromagnets are studied using the prototype Kagome lattice spin models. A range of quantum dynamical processes in the Ising model, with and without total Ising spin conserved, are analytically shown to yield all three characteristic quantum paramagnetic phases in the Kagome system. Special emphasis is given to the XXZ model that can be sensibly compared to the Kagome lattice Heisenberg antiferromagnet. It is explicitly demonstrated that the total-spin-conserving dynamics can yield a…
Recent experiments on the Co-based $d^7$ honeycomb materials BaCo$_2$(AsO$_4$)$_2$ and BaCo$_2$(PO$_4$)$_2$ have drawn renewed interest to XXZ models with competing interactions beyond the nearest neighbor exchange. While the case of dominant antiferromagnetic exchange has been extensively studied, the actual materials exhibit a ferromagnetic nearest neighbor exchange. Here we show that such a sign change of the dominant nearest neighbor coupling has substantial consequences on the phase diagram. In particular, the nature of the quantum disordered phase of interest changes from a plaquette val…
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…
I consider a theoretical description of recent experiments on doping the spin-Peierls compound CuGeO$_3$ and the Haldane gap compounds PbNi$_2$V$_2$O$_8$ and Y$_2$BaNiO$_5$. The effective theory is the one of randomly distributed spin-$1/2$ moments interacting with an exchange decaying exponentially with distance. The model has two phases in the (doping, interchain coupling) plane: (i) A Néel ordered phase at small doping; (ii) A quantum disordered phase at larger doping and small interchain interactions. The spin-Peierls compound CuGeO$_3$ and the Haldane gap Nickel oxides PbNi$_2$V$_2$O$_8$ …
We have systematically investigated the variation of the exchange parameters and the ground state in the $S = 1/2$ kagome-lattice antiferromagnet (Rb$_{1-x}$Cs$_{x}$)$_2$Cu$_3$SnF$_{12}$, via magnetic measurements using single crystals. One of the parent compounds, Rb$_2$Cu$_3$SnF$_{12}$, which has a distorted kagome lattice accompanied by four sorts of nearest-neighbor exchange interaction, has a disordered ground state described by a pinwheel valence-bond-solid state. The other parent compound, Cs$_2$Cu$_3$SnF$_{12}$, which has a uniform kagome lattice at room temperature, has an ordered gro…
We report pressure-dependent transient picosecond and continuous-wave photomodulation studies of disordered and ordered films of 2-methoxy-5-(2-ethylhexyloxy) poly(para-phenylenevinylene). Photoinduced absorption (PA) bands in the disordered film exhibit very weak pressure dependence and are assigned to intrachain excitons and polarons. In contrast, the ordered film exhibits two additional transient PA bands in the midinfrared that blueshift dramatically with pressure. Based on high-order configuration interaction calculations we ascribe the PA bands in the ordered film to excimers. Our work b…
We study the effect of A site disorder on magnetic field induced melting of charge order (CO) in half doped manganites using a Monte-Carlo technique. Strong A-site disorder destroys CO even without an applied field. At moderate disorder, the zero field CO state survives but has several intriguing features in its field response. Our spatially resolved results track the broadening of the field melting transition due to disorder and explain the unusual dependence of the melting scales on bandwidth and disorder. In combination with our companion paper on field melting of charge order in clean syst…
We consider subgap bands induced in a two-dimensional superconductor by a densely packed chain of magnetic moments with ferromagnetic or spiral alignments. We show that by contrast with sparsely packed chains a consistent description requires that all wavelengths are taken into account for the scattering at the magnetic moments. The resulting subgap states are a composition of Yu-Shiba-Rusinov-type states and magnetic scattering states, whose mixture becomes especially important to understand the nature and dimensional renormalization of gap closures for spiral magnetic alignments under increa…
The $S=1/2$ Kitaev honeycomb model has attracted significant attention as an exactly solvable example with a quantum spin liquid ground state. In a properly oriented external magnetic field, chiral Majorana edge modes associated with a quantized thermal Hall conductance emerge, and a distinct spin-disordered phase appears at intermediate field strengths, below the polarized phase. However, since material realizations of Kitaev magnetism invariably display competing exchange interactions, the stability of these exotic phases with respect to additional couplings is a key issue. Here, we report a…
We report on the magnetic structures of Tb3RuO7 and Nd3RuO7 determined from powder neutron-diffraction experiments. In Tb3RuO7, alternating-bond spin-3/2 Ru1-Ru2 chains are formed. The Ru1 and Ru2 moments are ordered and disordered (paramagnetic), respectively, below 15 K. This result indicates the appearance of a partially disordered (PD) state, although the two Ru sites are very similar to each other. In Nd3RuO7, the Ru1 and Ru2 ions form independent uniform chains. Both the Ru1 and Ru2 moments are ordered below 17.5 K. Probably, the main source of the PD state in Tb3RuO7 is the magnetic fru…
We theoretically study the effect of spiral-type charge frustration in a quasi-one-dimensional molecular conductor (DI-DCNQI)2Ag. We clarify how the spiral frustration in the interchain Coulomb repulsion is relieved and leads to a self-organization of complex charge-lattice ordered chains, in agreement with the recent synchrotron X-ray study [T. Kakiuchi et al., Phys. Rev. Lett. 98, 066402 (2007)]. In addition, we find that a keen competition between charge and lattice degrees of freedom under the frustration gives rise to a characteristic temperature within the ordered phase, below which a dr…
Peculiarities of optical absorption spectra of NdFe$_3$(BO$_3$)$_4$ crystal in magnetically ordered state and at the transition to spiral magnetic phase
The Hubbard model is studied in which disorder is introduced by putting the on-site interaction to zero on a fraction f of (impurity) sites of a square lattice. Using Quantum Monte Carlo methods and Dynamical Mean Field theory we find that antiferromagnetic long-range order is initially enhanced at half-filling and stabilized off half-filling by the disorder. The Mott-Hubbard charge gap of the pure system is broken up into two pieces by the disorder: one incompressible state remains at average density n=1 and another can be seen slightly below n=1+f. Qualitative explanations are provided.
Recently, there has been a resurgence of intense experimental and theoretical interest on the Kondo physics of nanoscopic and mesoscopic systems due to the possibility of making experiments in extremely small samples. We have carried out exact diagonalization calculations to study the effect of energy spacing $Δ$ in the conduction band states, hybridization, number of electrons, and disorder on the ground-state and thermal properties of strongly-correlated electron nanoclusters. For the ordered systems, the calculations reveal for the first time that $Δ$ tunes the interplay between the {\it lo…
We report on high-temperature electron spin resonance studies of A-site ordered YBaMn2O6 and disordered Y0.5Ba0.5MnO3. In the disordered sample we find that the linewidth is governed by spin-spin relaxation processes as in many other manganite systems. In contrast we find a Korringa-like spin relaxation with a slope of about 1 Oe/K above the charge-ordering transition and extending up to 930K in the metal ordered YBaMn2O6 samples. A Korringa-law is a clear feature of a truly metallic state, pointing to an unconventional high-temperature phase of these ordered manganites. In agreement with the …
Considering ground state of a quantum spin model as the initial state of the quantum battery, we show that both ordered and disordered interaction strengths play a crucial role to increase the extraction of power from it. In particular, we demonstrate that exchange interactions in the xy-plane and in the z-direction, leading to the XYZ spin chain, along with local charging field in the x-direction substantially enhance the efficiency of the battery compared to the model without interactions. Moreover, such an advantage in power obtained due to interactions is almost independent of the system s…
In disordered spin systems with antiferromagnetic Heisenberg exchange, transitions into and out of a magnetic-field-induced ordered phase pass through a unique regime. Using quantum Monte Carlo simulations to study the zero-temperature behavior, these intermediate regions are determined to be a Bose-Glass phase. The localization of field-induced triplons causes a finite compressibility and hence glassiness in the disordered phase.
A-site ordered manganites LnBaMn1.96Fe0.04O5 and LnBaMn1.96Fe0.04O6 are investigated by x-ray full-profile diffraction and Moessbauer spectroscopy. Powder samples were oriented with preferred orientation of platy crystallites in the plane of sample surface. March-Dollase function of preferred orientation was employed in analysing both the Rietveld patterns and the Mossbauer spectra. Combined effects of preffered orientation and vibrational anisotropy on the line area asymmetry of Mossbauer doublet are analysed. Constructive and destructive interference between the effects of texture and vibrat…
The layered manganese oxides LnBaMn1.96Fe0.04Oy (Ln=Y, Gd, Sm, Nd, Pr, La) have been synthesized for y=5, 5.5 and 6. In the oxygen-saturated state (y=6) they exhibit the charge and orbital order at ambient temperature for Ln=Y, Gd, Sm, but unordered eg-electronic system for Ln=La,Pr,Nd. Fourfold increase of quadrupole splitting was observed owing to the charge and orbital ordering. This is in agreement with the jumplike increase in distortion of the reduced perovskite-like cell for the charge and orbitally ordered manganites compared to the unordered ones. Substitution of 2 percents of Mn by F…
Two powerful theoretical predictions, Anderson localization and the Imry-Ma argument, impose significant restrictions on the phases of matter that can exist in the presence of even the smallest amount of disorder in one-dimensional systems. These predictions forbid conducting states and ordered states respectively. It was thus remarkable that a mechanism to circumvent Anderson localization relying on the presence of correlated disorder was found, that is also realized in certain biomolecular systems. In a similar manner, we show that the Imry-Ma argument can be circumvented resulting in the fo…
We numerically compute the density of states (DOS) of interacting disordered zigzag graphene nanoribbon (ZGNR) having midgap states showing $e/2$ fractional edge charges. The computed Hartree-Fock DOS is linear at the critical disorder strength where the gap vanishes. This implies an $I\mbox{-}V$ curve of $I\propto V^2$. Thus, $I\mbox{-}V$ curve measurement may yield evidence of fractional charges in interacting disordered ZGNR. We show that even a weak disorder potential acts as a singular perturbation on zigzag edge electronic states, producing drastic changes in the energy spectrum. Spin-ch…
We investigate the half-filled Hubbard model on an isotropic triangular lattice with the variational cluster approximation. By decreasing the on-site repulsion $U$ (or equivalently increasing pressure) we go from a phase with long range, three-sublattice, spiral magnetic order, to a non-magnetic Mott insulating phase -- a spin liquid -- and then, for $U\lesssim6.7t$, to a metallic phase. Clusters of sizes 3, 6 and 15 with open boundary conditions are used in these calculations, and an extrapolation to infinite size is argued to lead to a disordered phase at $U=8t$, but to a spiral order at $U\…
In this work, we investigate the representative case of the homometallic Co ludwigite Co$^{2+}_2$Co$^{3+}$O$_2$BO$_3$ ($Pbam$ space group) with four distinct Co crystallographic sites [$M1$-$M4$] surrounded by oxygen octahedra. The mixed-valent character of the Co ions up to at least $T=873$ K is verified through x-ray absorption near-edge structure (XANES) experiments. Single crystal x-ray diffraction (XRD) and neutron powder diffraction (NPD) confirm that the Co ions at the $M4$ site are much smaller than the others at low temperatures, consistent with a Co$^{3+}$ oxidation state at $M4$ and…
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…
Two-dimensional disordered quantum antiferromagnets are studied by means of a continuum description in which disorder is introduced by a random distribution of couplings (spin stiffnesses) in the ordered phase of the Nonlinear Sigma Model. Quenched soliton (skyrmion) correlation functions are evaluated and used, along with the quenched magnetization, to characterize the phase structure of the system. When magnetic dilution is exponentially suppressed, the introduction of disorder only modifies the subleading terms in the large distance behavior of the soliton correlation functions, yielding th…
We present evidence that the insulator to metal transition in (La,Ca)MnO3 near x~0.2 is driven by the suppression of coherent Jahn-Teller distortions, originating from d type orbital ordering. The orbital ordered state is characterised by large long-range Q2 distortions below To*-o'. Above To*-o' we find evidence for coexistence between an orbital-ordered and -disordered state. This behaviour is discussed in terms of electronic phases of an orbital ordered insulating and orbital-disordered metallic states.
The experimental observation of multiferroic behavior in perovskite manganites with a spiral spin structure demands to clarify the origin of these magnetic states and their relation to ferroelectricity. We show that spin-spiral phases with diagonal wavevector and also the E-type phase exist for intermediate values of the Hund's rule and the Jahn-Teller coupling in the orbitally ordered and insulating state of the standard two-band model Hamiltonian for manganites. Our results support the spin-current mechanism for ferroelectricity and present an alternative view to earlier conclusions where fr…
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…
We test three different approaches, based on quantum Monte Carlo simulations, for computing the velocity $c$ of triplet excitations in antiferromagnets. We consider the standard $S=1/2$ one- and two-dimensional Heisenberg models, as well as a bilayer Heisenberg model at its critical point. Computing correlation functions in imaginary time and using their long-time behavior, we extract the lowest excitation energy versus momentum using improved fitting procedures and a generalized moment method. The velocity is then obtained from the dispersion relation. We also exploit winding numbers to defin…
Various Fe-vacancy orders have been reported in tetragonal Fe1-xSe single crystals and nanowires/nanosheets, which are similar to those found in alkali metal intercalated A1-xFe2-ySe2 superconductors. Here we report the in-situ angle-resolved photoemission spectroscopy study of Fe-vacancy disordered and ordered phases in FeSe multi-layer thin films grown by molecular beam epitaxy. Low temperature annealed FeSe films are identified to be Fe-vacancy disordered phase and electron doped. Further long-time low temperature anneal can change the Fe-vacancy disordered phase to ordered phase, which is …
A first-principles disordered local moment (DLM) picture within the local-spin-density and coherent potential approximations (LSDA+CPA) of the actinides is presented. The parameter free theory gives an accurate description of bond lengths and bulk modulus. The case of $δ$-Pu is studied in particular and the calculated density of states is compared to data from photo-electron spectroscopy. The relation between the DLM description, the dynamical mean field approach and spin-polarized magnetically ordered modeling is discussed.
In $α$-RuCl$_3$, an external magnetic field applied within the honeycomb plane can induce a transition from a magnetically ordered state to a disordered state that is potentially related to the Kitaev quantum spin liquid. In zero field, single crystals with minimal stacking faults display a low-temperature state with in-plane zigzag antiferromagnetic order and a three-layer periodicity in the direction perpendicular to the honeycomb planes. Here, we present angle-dependent magnetization, ac susceptibility, and thermal transport data that demonstrate the presence of an additional intermediate-f…
