The pressure-temperature phase diagram of an intermediate-valence compound YbPd was revealed via simultaneous ac-calorimetry and electrical resistivity measurements. Two successive structural phase transition temperatures, $T_1$ = 125 K and $T_2$ = 110 K, are found to decrease with increasing pressure. The magnetic ordering transition at $T_{\rm N} ~sim$ 1.9 K decreases monotonically up to 1.7 GPa and disappears discontinuously at $P_{\rm c} sim$ 1.9 GPa, where the structural phase transition at $T_2$ is also suppressed. At $P_{\rm c}$, enhancement of the effective mass and residual resistivity are observed. Another probable magnetic phase transition, however, is found to take place at $T_{\rm ML} sim$0.3 K and smoothly varies even when crossing $P_{\rm c}$. Structural phase transitions at ambient pressure were also studied by a single crystal X-ray diffraction measurement. Below $T_2$, a tetragonal lattice distortion with doubling of the unit cell along the c-axis is observed, and thus there are two inequivalent Yb-sites below $P_{\rm c}$. These results indicate that one Yb-site, having larger valence configuration and thus smaller Kondo temperature, orders at $T_{\rm N}$. The other phase transition at $T_{\rm ML}$ seems to couple to the crystal structure for $T_2 < T < T_1$. YbPd is a unique system exhibiting magnetic orderings in metallic charge-ordered Yb systems.
An x-ray diffraction study reveals the charge ordering structure in an intermediate valence magnet YbPd with a CsCl-structure. The valence of the Yb ions forms an incommensurate structure, characterized by the wavevector (+-0.07 +-0.07 1/2) below 130 K. At 105 K, the incommensurate structure turns into a commensurate structure, characterized by the wavevector (0 0 1/2). Based on the resonant x-ray diffraction spectra of the superlattice reflections, the valences of the Yb ions below 105 K are found to be 3+ and 2.6+. The origin of the long wavelength modulation is discussed with the aid of an …
We report the influence of external pressure (P= up to 8 GPa) on the temperature dependence of electrical resistivity of a Yb-based Kondo lattice, YbPd2Si2, which does not undergo magnetic ordering under ambient pressure condition. There are qualitative changes in the temperature dependence of electrical resistivity due to the application of external pressure. While the resistivity is found to vary quadratically below 15 K (down to 45 mK) characteristic of Fermi-liquids, a drop is observed below 0.5 K for P= 1 GPa. Since the resistance values do not attain zero, we are attempted to attribute t…
We report muon spin relaxation and inelastic neutron measurements on the Heusler system YbPd$_2$Sn. Localised anisotropic and quasi-elastic Yb magnetic fluctuations are observed below $T = 150$K. Both $μ$SR and neutron data indicate a slowing-down of the spin-fluctuations, upon lowering the temperature, similar to that observed in Kondo lattices. The temperature dependence of the quasi-elastic neutron signal is compatible with a crystal-electric field scheme having a $Γ_7^{\rm CEF}$ ground state. The muon depolarization rate exhibits an additional contribution upon decreasing the temperature b…
Low temperature ac magnetic susceptibility measurements of the coexistent antiferromagnetic superconductor YbPd2Sn have been made in hydrostatic pressures < 74 kbar in moissanite anvil cells. The superconducting transition temperature is forced to T(SC) = 0 K at a pressure of 58 kbar. The initial suppression of the superconducting transition temperature is corroborated by lower hydrostatic pressure (p < 16 kbar) four point resisitivity measurements, made in a piston cylinder pressure cell. At ambient pressure, in a modest magnetic field of ~ 500 G, this compound displays reentrant superconduct…
We demonstrate that the half-doped bilayer manganite La_{1}Sr_{2}Mn_{2}O_{7} exhibits CE-type charge-ordered and spin-ordered states below $T_{N, CO}^A = 210$ K and below $T_{N}^{CE} \sim 145$ K, respectively. However, the volume fraction of the CE-type ordering is relatively small, and the system is dominated by the A-type spin ordering. The coexistence of the two types of ordering is essential to understand its transport properties, and we argue that it can be viewed as an effective phase separation between the metallic $d(x^{2}-y^{2})$ orbital ordering and the charge-localized $d(3x^{2}-r^{…
Temperature- and field-dependent measurements of the Hall effect of pure and 4 % Rh-doped URu$_{2}$Si$_{2}$ reveal low density (0.03 hole/U) high mobility carriers to be unique to the `hidden order' phase and consistent with an itinerant density-wave order parameter. The Fermi surface undergoes a series of abrupt changes as the magnetic field is increased. When combined with existing de Haas-van Alphen data, the Hall data expose a strong interplay between the stability of the `hidden order,' the degree of polarization of the Fermi liquid and the Fermi surface topology.
Ferroelectric and ferromagnetic materials possess spontaneous electric and magnetic order, respectively, which can be switched by the corresponding applied electric and magnetic fields. Multiferroics combine these properties in a single material, providing an avenue for controlling electric polarization with a magnetic field and magnetism with an electric field. These materials have been intensively studied in recent years, both for their fundamental scientific interest as well as their potential applications in a broad range of magnetoelectric devices [1, 2, 3, 4]. However, the microscopic or…
We study the interplay between charge and spin ordering in electronic liquid crystalline states with a particular emphasis on fluctuating spin stripe phenomena observed in recent neutron scattering experiments\cite{Hinkov2008, Haug2009}. Based on a phenomenological model, we propose that charge nematic ordering is indeed behind the formation of temperature dependent incommensurate inelastic peaks near wavevector $(π,π)$ in the dynamic structure factor of YBa$_2$Cu$_3$O$_{6+y}$. We strengthen this claim by providing a compelling fit to the experimental data which cannot be reproduced by a numbe…
Single crystals of RPd${_2}$P${_2}$ (R=Y, La-Nd, Sm-Ho, Yb) were grown out of a high temperature solution rich in Pd and P and characterized by room-temperature powder X-ray diffraction, anisotropic temperature- and field-dependent magnetization and temperature-dependent in-plane resistivity measurements. In this series, YPd${_2}$P${_2}$ and LaPd${_2}$P${_2}$ and YbPd${_2}$P${_2}$ (with Yb$^{+2}$) are non local-moment bearing, whereas CePd${_2}$P${_2}$ and PrPd${_2}$P${_2}$ order at low temperature with a ferromagnetic component along the crystallographic c-axis. The rest of the series manifes…
We have studied the interplay between orbital ordering, Jahn-Teller and GdFeO3-type lattice distortions in perovskite-type transition-metal oxides using model Hartree-Fock calculations. It has been found that the covalency between A-site cations and oxygens causes interaction between the Jahn-Teller and GdFeO3-type distortions. The present calculations explain why the d-type Jahn-Teller distortion and orbital ordering compatible with it are realized in LaMnO3, YVO3 and YTiO3
We report resonant x-ray scattering data of the orbital and magnetic ordering at low temperatures at the Mn $L_{\rm 2,3}$ edges in \lsmo. The orderings display complex energy features close to the Mn absorption edges. Systematic modeling with atomic multiplet crystal field calculations was used to extract meaningful information regarding the interplay of spin, orbital and Jahn-Teller order. These calculations provide a good general agreement with the observed energy dependence of the scattered intensity {for a} dominant orbital ordering of the $ d_{x^2 - z^2} / d_{y^2 - z^2} $ type. In additio…
We investigate the competition between superconductivity, charge-ordering, magnetic-ordering, and the Kondo effect in a heavy fermion $s$-wave superconductor described by a Kondo lattice model with an attractive on-site Hubbard interaction. The model is solved using the real-space dynamical mean field theory. For this purpose, we develop a numerical renormalization group (NRG) framework in Nambu space, which is used to solve the superconducting impurity problem. This extended NRG scheme also allows for SU(2) spin symmetry broken solutions, enabling us to examine the competition or cooperation …
Using a combination of low-temperature nanocalorimetry and x-ray diffraction we identify three temperature regimes characterized by distinct Na ordering patterns (low temperature up to 290 K, intermediate 290-340 K, and high above 340 K). Through freezing-in of these patterns we establish the two key roles sodium intercalation plays in the formation of the magnetic ground state: supplying the proper electron count for in-plane ferromagnetic interaction and through the 3D sodium ordering providing the interplane antiferromagnetic exchange path.
We investigate an effective Hamiltonian for Na0.5CoO2 that includes the electrostatic potential due to the ordered Na ions and strong electronic correlations. This model displays a subtle interplay between metallic and insulating phases and between charge and magnetic order. For realistic parameters, the model predicts an insulating phase with similarities to a covalent insulator. We show that this interpretation gives a consistent explanation of experiments on Na0.5CoO2, including the small degree of charge ordering, the small charge gap, the large moment, and the optical conductivity.
We report resonant x-ray scattering studies of charge and orbital order in Pr_{1-x}Ca_{x}MnO_3 with x=0.4 and 0.5. Below the ordering temperature, T_O=245 K, the charge and orbital order intensities follow the same temperature dependence, including an increase at the antiferromagnetic ordering temperature, T_N. High resolution measurements reveal, however, that long range orbital order is never achieved. Rather, an orbital domain state is formed. Above T_O, the charge order fluctuations are more highly correlated than the orbital fluctuations. Similar phenomenology is observed in a magnetic fi…
We report on detailed transprort measurements of single crystalline La(1-x)Sr(x)MnO(3) (x<=0.2). We have found a giantpositive magnetoresistance in the compositions range between 0.1<=x<=0.125 and give an explaination in terms of orbital ordering due to the interplay between superexchange interactions and Jahn-Teller distortions.
We present a Hartree-Fock study of the Falicov-Kimball model extended by both on-site and non-local hybridization. We examine the interplay between excitonic effects and the charge-density wave (CDW) instability known to exist at zero hybridization. It is found that the CDW state remains stable in the presence of finite hybridization; for on-site hybridization the Coulomb interaction nevertheless strongly enhances the excitonic average above its value in the noninteracting system. In contrast, for non-local hybridization, we observe no such enhancement of the excitonic average or a spontaneous…
Theoretical model for magnetic ordering in the heavy-fermion metal URu2Si2 is suggested. The 17.5K transition in this material is ascribed to formation of a spin-density wave, which develops due to a partial nesting between electron and hole parts of the Fermi surface and has a negligibly small form-factor. Staggered field in the SDW state induces tiny antiferromagnetic order in the subsystem of localized singlet-singlet levels. Unlike the other models our scenario is based on coexistence of two orderings with the same antiferromagnetic dipole symmetry.The topology of the pressure phase diagra…
The mixed rare-earth orthochromite Nd$_{0.5}$Dy$_{0.5}$CrO$_{3}$ has a Néel temperature ($T_\mathrm{N}$) of ${\sim}$ 175\,K, resulting in the G-type antiferromagnetic ordering of Cr$^{3+}$ spins. The inverse susceptibility shows a deviation from Curie-Weiss law at 230\,K, with a large effective paramagnetic moment of 8.8\,$μ_{\mathrm{B}}$. The ZFC-FC magnetization bifurcate just above $T_\mathrm{N}$ and show a distinct signature of spin reorientation near 60\,K. Neutron diffraction show that below $T_\mathrm{N}$, the Cr$^{3+}$ spins align in $Γ_{2}$ representation as ($F_{x}$, $G_{z}$). Below …
We report the magnetic, thermal, magnetocaloric and transport properties of polycrystalline NdCuSi. The compound shows a weak antiferromagnetic ordering, as confirmed by different measurements. Arrott plots indicate that the magnetic phase transition is found to be second order in nature. The isothermal magnetic entropy change calculated using the magnetization data gives a value of 11.1 J/kg K for a field change of 50 kOe. The follows h2/3 dependence (h is the reduced field) with a negative intercept, which is predicted by mean field theory for second order phase transitions. Landau theory of…
Conventional Paramagnetism - a state with finite magnetic moment per ion sans long range magnetic ordering, but with lowering temperature the moment on each ion picks up a particular direction, breaking rotational symmetry, and results into long range magnetic ordering. However, in systems with competing multiple degrees of freedom this conventional notion may easily breaks and results into short range correlation much above the global magnetic transition temperature. La2CuIrO6 with complex interplay of spins (s =1/2) on Cu site and pseudo-spin (j =1/2) on Ir site owing to strong spin-orbit co…
A detailed $^{31}$P (I=1/2) and $^{75}$As (I=3/2) NMR study on polycrystalline CeFeAs$_{1-x}$P$_{x}$O alloys is presented. The magnetism of CeFeAsO changes drastically upon P substitution on the As site. CeFePO is a heavy fermion system without long range order whereas CeFeAsO exhibits a Fe-3$d$ SDW type of ordering accompanied by a structural transition from tetragonal ($TT$) to orthorhombic ($OT$) structure. Furthermore Ce-4$f^{1}$ orders antiferromagnetically (AFM) at low temperature. At the critical concentration where the Fe-magnetism is diminished the Ce-Ce interaction changes to a ferro…
Besides superconductivity, copper-oxide high temperature superconductors are susceptible to other types of ordering. We use scanning tunneling microscopy and resonant elastic x-ray scattering measurements to establish the formation of charge ordering in the high-temperature superconductor Bi2Sr2CaCu2O8+x. Depending on the hole concentration, the charge ordering in this system occurs with the same period as those found in Y-based or La-based cuprates, and displays the analogous competition with superconductivity. These results indicate the similarity of charge organization competing with superc…
A number of recent experiments exhibit electronic anisotropy in the iron pnictides, and there is a growing body of experimental evidence that its origin is related to orbital ordering in Fe d_{xz} and d_{yz} orbitals. We examine this problem in the parent compounds of the iron pnictides by a combination of ab initio band theory calculations, phenomenological Ginzburg-Landau theory of coupled orbital and magnetic order parameters, and a microscopic mean-field study of the Kugel-Khomskii model. We find that orbital ordering is sufficient to explain a number of key experimental observations, in p…
We study the spin ordering within the 3-leg ladders present in the oxyborate Fe(3)O(2)BO(3) consisting of localized classical spins interacting with conduction electrons (one electron per rung). We also consider the competition with antiferromagnetic superexchange interactions to determine the magnetic phase diagram. Beside a ferromagnetic phase we find (i) a phase with ferromagnetic rungs ordered antiferromagnetically (ii) a zig-zag canted spin ordering along the legs. We also determine the induced charge ordering within the different phases and the interplay with lattice instability. Our mod…
Measurements of dc magnetization ($M$) and electrical resistivity ($ρ$) have been carried out as a function of temperature ($T$) for layered oxide Li$_{\rm x}$CoO$_2$ (0.51$\leq$$x$$\leq$1.0) using single crystal specimens. After slow cool of the specimens down to 10 K, both of the $M$($T$) and $ρ$($T$) curves are found to exhibit a clear anomaly due to the occurrence of Co$^{\rm 3+}$$/$Co$^{\rm 4+}$ charge ordering (CO) at $T_{\rm S}$$\sim$155 K for 0.6$\leq$$x$$\leq$0.98 (at $T_{\rm S}$$\sim$180$-$190 K for 0.5$\leq$$x$$\leq$0.55). After rapid cool of the specimens, additional anomalies are …
A model of localized classical electrons coupled to lattice degrees of freedom and, via the Coulomb interaction, to each other, has been studied to gain insight into the charge and orbital ordering observed in lightly doped manganese perovskites. Expressions are obtained for the minimum energy and ionic displacements caused by given hole and electron orbital configurations. The expressions are analyzed for several hole configurations, including that experimentally observed by Yamada et al. in La_{7/8}Sr_{1/8}MnO_3. We find that, although the preferred charge and orbital ordering depend sensiti…
Using Density Functional Theory, competition between Mott-Hubbard and intervalence charge transfer mechanism of electron localization is revealed in AgF$_2$, an important silver analogue of oxocuprates. We show that at reduced temperature and electron correlations AgF$_2$ becomes metallic and dynamically unstable in respect to CDW phonon modes that promote charge ordering. The CDW instability is closely related to Kohn anomaly and Fermi surface nesting. The long advocated KBrF$_4$ type CDW Ag$^{1+/3+}$F$_2$ structure and its facile transformation to the ground state Ag$^{2+}$F$_2$ phase is exp…
We theoretically investigate the interplay between charge ordering and magnetic states in quasi-one-dimensional molecular conductors TMTTF$_2X$, motivated by the observation of a complex variation of competing and/or coexisting phases. We show that the ferroelectric-type charge order increases two-dimensional antiferromagnetic spin correlation, whereas in the one-dimensional regime two different spin-Peierls states are stabilized. By using first-principles band calculations for the estimation for the transfer integrals and comparing our results with the experiments, we identify the controlling…
Specific heat of the layered NaxCoO2 (x=0.65, 0.70 and 0.75) oxides has been measured in the temperature range of 3-360 K and magnetic field of 0 and 9 T. The analysis of data, assuming the combined effect of inter-layer superexchange and the phase separation into mesoscopic magnetic domains with localized spins embedded in a matrix with itinerant electronic character, suggests that the dominant contribution to the specific heat in the region of short-range ordering is mediated by quasi-2D antiferromagnetic clusters, perpendicular to the CoO2 layers.
We investigate a (semi-)metal to insulator transition (MIT) realized in geometrically frustrated electron systems on the basis of the Hubbard model on a three-dimensional pyrochlore lattice and a two-dimensional checkerboard lattice. Using the renormalization group method and mean field analysis, we show that in the half-filling case, MIT occurs as a result of the interplay between geometrical frustration and electron correlation. In the insulating phase, which has a spin gap, the spin rotational symmetry is not broken, while charge ordering exists. The charge ordered state is stabilized so as…
The interplay between lattice topology, frustration, and spin quantum number, $s$, is explored for the Heisenberg antiferromagnet (HAFM) on the eleven two-dimensional Archimedean lattices (square, honeycomb, CaVO, SHD, SrCuBO, triangle, bounce, trellis, maple-leaf, star, and kagome). We show the CCM provides consistently accurate results when compared to the results of other approximate methods. The $\sqrt{3}\times\sqrt{3}$ model state provides lower ground-state energies than those of the $q=0$ model state for the kagome and star lattices for most values of $s$. The $q=0$ model state provides…
LaMnO$_3$ is considered as a prototypical Jahn-Teller perovskite compound, exhibiting a metal to insulator transition at $T_{JT} = 750K$ related to the joint appearance of an electronic orbital ordering and a large lattice Jahn-Teller distortion. From first-principles, we revisit the behavior of LaMnO$_3$ and show that it is not only prone to orbital ordering but also to charge ordering. Both charge and orbital orderings appear to be enabled by rotations of the oxygen octahedra and the subtle competition between them is monitored by a large tetragonal compressive strain, that is itself a Jahn-…
We present resonant soft X-ray scattering (RSXS) results from small band width manganites (Pr,Ca)MnO$_3$, which show that the CE-type spin ordering (SO) at the phase boundary is stabilized only below the canted antiferromagnetic transition temperature and enhanced by ferromagnetism in the macroscopically insulating state (FM-I). Our results reveal the fragility of the CE-type ordering that underpins the colossal magnetoresistance (CMR) effect in this system, as well as an unexpected cooperative interplay between FM-I and CE-type SO which is in contrast to the competitive interplay between the …
We discuss the notions of spin-orbital polarization and ordering in paramagnetic materials, and address their consequences in transition metal oxides. Extending the combined density functional and dynamical mean field theory scheme to the case of materials with large spin-orbit interactions, we investigate the electronic excitations of the paramagnetic phases of Sr2IrO4 and Sr2RhO4. We show that the interplay of spin-orbit interactions, structural distortions and Coulomb interactions suppresses spin-orbital fluctuations. As a result, the room temperature phase of Sr2IrO4 is a paramagnetic spin…
The electronic and magnetic properties of Ba$_5$AlIr$_2$O$_{11}$ containing Ir-Ir dimers are investigated using the GGA and GGA+SOC calculations. We found that strong suppression of the magnetic moment in this compound recently found in [J. Terzic {\it et al.}, Phys. Rev. B {\bf 91}, 235147 (2015)] is not due to charge-ordering, but is related to the joint effect of the spin-orbit interaction and strong covalency, resulting in the formation of metal-metal bonds. They conspire and act against the intra-atomic Hund's rule exchange interaction to reduce total magnetic moment of the dimer. We argu…
We quantify the instability towards the formation of multipolar states in coupled spin-1/2 chain systems with a frustrating J1-J2 exchange, in parameter regimes that are of directly relevance to edge-shared cuprate spin-chain compounds. Three representative types of inter-chain coupling and the presence of uniaxial exchange anisotropy are considered. The magnetic phase diagrams are determined by Density Matrix Renormalization Group calculations and completed by exact analytic results for the nematic and dipolar phases. We establish that the residual couplings strongly affect the pitch of spira…
We investigate the interplay of quantum fluctuations and magnetic anisotropies in metallic ferromagnets. Our central result is that fluctuations close to a quantum critical point can drive the moments to point along a magnetic hard axis. As a proof of concept, we show this behavior explicitly for a generic two-band model with local Coulomb and Hund's interactions, and a spin-orbit-induced easy plane anisotropy. The phase diagram is calculated within the fermionic quantum order-by-disorder approach, which is based on a self-consistent free energy expansion around a magnetically ordered state wi…
We show that in manganites close to half-doping novel non-bipartite magnetic phases appear due to the interplay between double exchange, superexchange and orbital ordering. In considerable part of the phase diagram the groundstate has a magnetic order that is intermediate between the canonical magnetic CE-phase and a state that we identify as the recently observed Zener polaron state. The intermediate phase shows a type of charge ordering that breaks inversion symmetry and is therefore predicted to be ferroelectric.
We present a theoretical study of a model heterostructure for a Mott-insulator sandwiched between two band insulators, such as SrTiO3/LaTiO3. Particular emphasis is given on the interplay between magnetism and inhomogeneous charge distributions. Our mean-field analysis of the generalized Hubbard model displays numerous ordered phases in the ground-state phase diagram. In particular, we find a canted antiferromagnetic state near the interface when antiferromagnetic-ordering exists inside the Mott insulator. A checkerboard charge-ordering proposed previously is also stabilized for large long-ran…
We report a comprehensive neutron diffraction study of the crystal structure and magnetic order in a series of single-crystal and powder samples of SrFeO$_{3-δ}$ in the vacancy range $0 \leq δ\leq 0.23$. The data provide detailed insights into the interplay between the oxygen vacancy order and the magnetic structure of this system. In particular, a crystallographic analysis of data on Sr8Fe8O23 revealed a structural transition between the high-temperature tetragonal and a low-temperature monoclinic phase with a critical temperature T = 75 K, which originates from charge ordering on the Fe subl…
We study the manganese oxides from the viewpoint of the strongly correlated doped Mott insulator. The magnetic ordering and the charge transport are governed by the orbital degrees of freedom, and their dimensionality is controlled by the anisotropic transfer integrals between the $e_g$ orbitals. As x increases the magnetic structure is predicted to change as $A \to F \to A \to C \to G$ (F: ferromagnet, A: layered antiferromagnet, C: rod-type antiferromagnet, G: usual antiferromagnet), in agreement with experiments. Especially the orbital is aligned as $d_{x^2-y^2}$ in the metallic A state, wh…
We present studies of an effective model which is a simple generalization of the standard model of a local pair superconductor with on-site pairing (i.e., the model of hard core bosons on a lattice) to the case of finite pair binding energy. The tight binding Hamiltonian consists of (i) the effective on-site interaction U, (ii) the intersite density-density interactions W between nearest-neighbours, and (iii) the intersite charge exchange term I, determining the hopping of electron pairs between nearest-neighbour sites. In the analysis of the phase diagrams and thermodynamic properties of this…
A possible mechanism of electronic phase separation in the systems with orbital ordering is analyzed. We suggest a simple model taking into account an interplay between the delocalization of charge carriers introduced by doping and the cooperative ordering of local lattice distortions. The proposed mechanism is quite similar to the double exchange usually invoked for interpretation of phase separation in doped magnetic oxides like manganites, but can be efficient even in the absence of any magnetic ordering. It is demonstrated that the delocalized charge carriers favor the formation of nanosca…
Recently, a Verwey-type transition in the mixed-valence alkali sesquioxide Cs$_4$O$_6$ was deduced from the charge ordering of molecular peroxide O$_2^{2-}$ and superoxide O$_2^-$ anions accompanied by the structural transformation and a dramatic change in electronic conductivity [Adler et al, Sci. Adv 4, eaap7581 (2018)]. Here, we report that in the sister compound Rb$_4$O$_6$ a similar Verwey-type charge ordering transition is strongly linked to O$_2^-$ orbital and spin dynamics. On cooling, a powder neutron diffraction experiment reveals a charge ordering and a cubic-to-tetragonal transitio…
While double perovskites A2BB'O6, if ordered, usually form a rock-salt-type structure with a checkerboard B/B' ordering, it is surprising that Ca2FeMnO6 has alternate FeO2 and MnO2 layers in its perovskite structure. Here we demonstrate, using density functional calculations, that this unusual layered ordering facilitates, and is largely helped by, the Fe3+-Fe5+ charge disproportionation (CD) of the formal Fe4+ ions, which would otherwise be frustrated in the common rock salt structure. To further verify the important role of the CD for stabilization of this layered ordering, we carry out a co…
We present $^{77}$Se-NMR measurements on single-crystalline FeSe under pressures up to 2 GPa. Based on the observation of the splitting and broadening of the NMR spectrum due to structural twin domains, we discovered that static, local nematic ordering exists well above the bulk nematic ordering temperature, $T_{\rm s}$. The static, local nematic order and the low-energy stripe-type antiferromagnetic spin fluctuations, as revealed by NMR spin-lattice relaxation rate measurements, are both insensitive to pressure application. These NMR results provide clear evidence for the microscopic cooperat…
We report a density-matrix renormalization group study of the $t$-$J$ model with nearest ($t_1$ & $J_1$) and next-nearest ($t_2$ & $J_2$) interactions on a 4-leg cylinder with concentration $δ=1/8$ of doped holes. We observe an astonishingly complex interplay between uniform $d$-wave superconductivity (SC) and strong spin and charge density wave ordering tendencies (SDW and CDW). Depending on parameters, the CDWs can be commensurate with period 4 or 8. By comparing the charge ordering vectors with $2 k_F$, we rule out Fermi surface nesting-induced density wave order in our model. Magnetic frus…
We present our theoretical results on the ground states in layered triangular-lattice compounds ANiO2 (A=Na, Li, Ag). To describe the interplay between charge, spin, orbital, and lattice degrees of freedom in these materials, we study a doubly-degenerate Hubbard model with electron-phonon couplings by the Hartree-Fock approximation combined with the adiabatic approximation. In a weakly-correlated region, we find a metallic state accompanied by \sqroot3x\sqroot3 charge ordering. On the other hand, we obtain an insulating phase with spin-ferro and orbital-ferro ordering in a wide range from inte…
The family of molecular conductors TMTTF/TMTSF-X demonstrates almost all known electronic phases in parallel with a set of weak structural modifications of anion ordering and mysterious structureless transitions. Only in early 2000's their nature became elucidated by discoveries of a huge anomaly in the dielectric permittivity and by the NMR evidences for the charge ordering (disproportionation). These observations have been interpreted as the never expected ferroelectric transition. The phenomenon unifies a variety of different concepts and observations in quite unusual aspects or conjunction…
We report the magnetic field dependent dc magnetization and the pressure-dependent (pmax ~ 16 kbar) ac susceptibilities Xp(T) on both powder and bulk multiferroic BiMnO3 samples, synthesized in different batches under high pressure. A clear ferromagnetic (FM) transition is observed at TC ~ 100 K, and increases with magnetic field. The magnetic hysteresis behavior is similar to that of a soft ferromagnet. Ac susceptibility data indicate that both the FM peak and its temperature (TC) decrease simultaneously with increasing pressure. Interestingly, above a certain pressure (9 ~ 11 kbar), another …
The magnetization rotation transition occurs in the itinerant ferromagnet URhGe when the field about 12T is applied in direction perpendicular to spontaneous magnetization in the plane of the smallest magnetic anisotropy energy.The transition is accompanied by the maximum of resistivity in the normal state and by reentrance of superconductivity at lower temperatures in the field interval between 8 and 13 Tesla [F.Levy et al, Science, to be published (2005)]. We discuss the magnetization orientation transition and the modification of triplet pairing superconducting state coexisting with ferroma…
Interesting emergent behavior in quantum materials arises when the interaction of electrons with the lattice leads to partial localization and ordering of charge at low temperatures. The triangular lattice of some transition metal dichalcogenides additionally presents an interesting case, where spin order is frustrated, leading to an additional complex interplay of interactions involving spin, charge and lattice degrees of freedom. Here we present a study of local symmetry breaking of the lattice structure in the layered dichalcogenide material 1T-TaS$_{2}$ using x-ray pair-distribution functi…
The electronic structure and magnetic properties of CaCr$\mathrm{O}_3$ have been calculated by two methods, including hybrid-exchange density-function theory and density-functional theory + $U$. The computed densities of states from both of these methods are in a qualitative agreement with the previous x-ray spectroscopy. On the other hand, the opening of the band gap separates them apart. hybrid-exchange density-functional theory always gives a finite band gap, down to $\sim 1.2$ eV from HSE06 functional, whereas by tuning the Hubbard-$U$ parameter down to $0.5$ eV, a conducting state with AF…
