Spin, charge, and orbital ordering in La0.5Sr1.5Mno4

We have analyzed the experimental evidence of charge and orbital ordering in La0.5Sr1.5MnO4 using first principles band structure calculations. Our results suggest the presence of two types of Mn sites in the system. One of the Mn sites behaves as an Mn3+ ion, favoring a Jahn-Teller distortion of the surrounding oxygen atoms, while the distortion around the other is not a simple breathing mode kind. Band structure effects are found to dominate the experimental spectrum for orbital and charge ordering, providing an alternate explanation for the experimentally observed results.     

0- and 2/3-magnetization plateaus in three-leg antiferromagnetic Heisenberg spin-1/2 ladders with leg-dimerization

Magnetic properties of three-leg antiferromagnetic Heisenberg spin-1/2 ladders with different dimerization patterns have been studied using the bond mean-field theory. Our results show that rung-columnar ladders are thermodynamically stable states for large rung-to-leg coupling ratios. Magnetization curves of leg-columnar and leg-staggered ladders always exhibit 0- and 2/3-magnetization plateaus, which do not appear in rung-columnar and rung-staggered ladders. In leg-dimerized ladders, the formation of spin dimers in the three legs results in the appearance of the 0- and 2/3-magnetization plateaus. Spin configuration in the 2/3-magnetization plateau can be understood from the mean-field bond parameters.     

Spin frustration,charge ordering,and enhanced antiferromagnetism in TMTTF2SbF6

We theoretically investigate the effects of charge order and spin frustration on the spin ordering in TMTTF salts. Using first-principles band calculations, we find that a diagonal inter-chain transfer integral t_q1, which causes spin frustration between the inter-chain dimers in the dimer-Mott insulating state, strongly depends on the choice of anion. Within the numerical Lanczos exact diagonalization method, we show that the ferroelectric charge order changes the role of t_q1 from the spin frustration to the enhancement of the two-dimensionality in spin sector. The results indicate that t_q1 assists the cooperative behavior between charge order and antiferromagnetic state observed in TMTTF₂SbF₆.     

Evolution of charge ordering in manganites

Charge ordering phenomena in the manganites Ca_1-xSm_xMnO₃ have been studied for , using electron diffraction and lattice imaging, completed by magnetic and transport measurements. Three domains can be distinguished, depending on the nature of the structural transitions with temperature. For , the structural transition from a pseudo-tetragonal to a monoclinic form, with decreasing temperature, coincides with the competition between ferromagnetism and antiferromagnetism that is characterized by the temperature T_peak on the M ( T ) curves; short-range charge ordering is observed for manganites. For the second domain, , a structural transition from an orthorhombic to a long-range charge ordered state is clearly observed with decreasing temperature. The corresponding temperature T_CO coincides with the temperature T_peak deduced from magnetic measurements. This long range charge ordering, which appears along a, is either commensurate or incommensurate depending on the x value, with a modulation vector, q being close to x. These modulated superstructures correspond to a stacking of single Mn³⁺ stripes with multiple Mn⁴⁺ stripes along a, either in a commensurate or in an incommensurate manner. The third domain , is characterized by a transition to a charge ordered state with commensurate superstructure at low temperature. The latter can be described as a “partially” charge ordered state in which single “Mn³⁺” stripes alternate with mixed “Mn³⁺/Mn⁴⁺” stripes. Received 17 June 1998     

Orbital ordering in charge transfer insulators

We discuss a new mechanism of orbital ordering, which in charge transfer insulators is more important than the usual exchange interactions and which can make the very type of the ground state of a charge transfer insulator, i.e., its orbital and magnetic ordering, different from that of a Mott-Hubbard insulator. This purely electronic mechanism allows us to explain why orbitals in Jahn-Teller materials typically order at higher temperatures than spins, and to understand the type of orbital ordering in a number of materials, e.g., K2CuF4, without invoking the electron-lattice interaction.     

Thermo-emf in materials with charge ordering

Using a generalized Hubbard model within the framework of Kubo formalism, the concentration and temperature dependences of thermo-emf () in materials with charge ordering are calculated. It is shown that in a charge-ordered state a threefold inversion of the sign of a occurs with change in charge carrier concentration (n). Temperature reduction leads to a phase transition of the crystal into a charge-ordered state, which at certain values of n also causes a change in the sign of .Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika. No. 2, pp. 26–29, February, 1985.     

Spin and charge density changes in FeSn

Interpretation of the hyperfine field and isomer shift changes in terms of a spin and charge density changes is given for a series of Fe–Sn alloys. Linear correlations have been revealed for the following⁵⁷Fe site quantities: the hyperfine field H(0,0) and the isomer shift IS(0,0) of undisturbed neighbour configurations; the average hyperfine field, and the average isomer shift, ; the average hyperfine field and the average number of Sn atoms in the first two neighbour shells, . The latter correlation holds also for the Sn site measurements. From the first two correlations, the following hyperfine coupling constants have been evaluated: (a) for s-like itinerant electrons yielding 183 k0e/s-el., (b) average coupling constant yielding –319 k0e/s-el.. From the correlation between the Fe site and the change in the spin or charge density caused by one Sn atom for unit cell, has been deduced to be equal to 0.27 s-el./Sn-atom/u.c..     

Experimental evidence of coupling interaction between charge ordering and spin ordering

In order to experimentally probe into the complicated interaction between charge ordering and spin ordering in manganites,two sets of samples Nd0.5Sr0.5Mn1-xGaxO3(NSMGO) and Nd 0.5Sr0.5Mn1-y CryO3(NSMCO)(0.0 x,y 0.075),have been studied by means of electrical transport,magnetization,electron spin resonance and transmission electron microscopy analysis.By comparing the influence of Cr-doping and Ga-doping in the Nd0.5Sr0.5MnO3(NSMO) system,large difference between the evolution of charge ordering temperature T co in the Cr-doping and the Ga-doping cases is found.In the NSMCO system,the CE-type antiferromagnetic(AFM)/charge ordering(CO) phase disappears with only 2.5 percent Cr doping;but in the NSMGO system,the CE-type AFM/CO phase always exists.This phenomenon indicates that the charge ordering formation is dominated by the spin ordering.As a result,it is experimentally proved that there is strong coupling interaction between charge ordering and spin ordering in NSMO system.     

Bond and charge ordering in low-dimensional organic conductors

We review 35 years of structural studies of quasi-1D organic conductors during which the concepts of 2k_F and 4k_F BOW and CDW have been elaborated. In strongly correlated quarter filled band systems these instabilities give rise to SP, DM and CO ground states. We relate these structural features to the instabilities of the 1D electron gas. To stabilize the different ground states the nature of the electron-phonon coupling has to be considered together with the coupling of the organic stacks with the anion sublattice. New results concerning the classification of the SP phase in connection with the adiabatic or antiadiabatic phonon field and its competition with the CO are also introduced.     

Phase separation in systems with charge ordering

A simple model of charge ordering is considered. It is explicitly shown that at any deviation from half-filling (n≠1/2), the system is unstable with respect to the phase separation into the charge ordered regions with n=1/2 and the metallic regions with a smaller electron or hole density. A possible structure of this phase-separated state (metallic droplets in a charge ordered matrix) is discussed. The model is extended to account for the strong Hund-rule onsite coupling and the weaker intersite antiferromagnetic exchange. The analysis of this extended model allows us to determine the magnetic structure of the phase-separated state and to reveal the characteristic features of the manganites and other substances with charge ordering.     

Nonuniversal ordering of spin and charge in stripe phases

We study the interplay of topological excitations in stripe phases: charge dislocations, charge loops, and spin vortices. In two dimensions these defects interact logarithmically on large distances. Using a renormalization-group analysis in the Coulomb-gas representation of these defects, we calculate the phase diagram and the critical properties of the transitions. Depending on the interaction parameters, spin and charge order can disappear at a single transition or in a sequence of two transitions (spin-charge separation). These transitions are nonuniversal with continuously varying critical exponents. We also determine the nature of the points where three phases coexist.     

Pressure-tuned spin and charge ordering in an itinerant antiferromagnet

Elemental chromium orders antiferromagnetically near room temperature, but the ordering temperature can be driven to zero by applying large pressures. We combine diamond anvil cell and synchrotron x-ray diffraction techniques to measure directly the spin and charge order in the pure metal at the approach to its quantum critical point. Both spin and charge order are suppressed exponentially with pressure, well beyond the region where disorder cuts off such a simple evolution, and they maintain a harmonic scaling relationship over decades in scattering intensity. By comparing the development of the order parameter with that of the magnetic wave vector, it is possible to ascribe the destruction of antiferromagnetism to the growth in electron kinetic energy relative to the underlying magnetic exchange interaction.     

Electron charge ordering in the extended Hubbard model

The Hubbard model on 3-dimensionalsc lattice with an attractive or repulsive on site interaction, augmented by a renulsive nearest neighbour interaction and its atomic limit are studied using the method of infrared bounds. Conditions upon interactions for the existence of a temperature driven phase transition to so called charge ordered phase are derived. A lower bound in terms of interactions for the corresponding critical temperature is calculated.     

Spin and charge polarization around magnetic impurities in metals

Our previously developed trial function scheme has been generalized to investigate the spin and charge polarization around the nearest neighbors of the impurity, and the influence of the polarization on the formation of local moments. While the reduction of impurity moment is mostly due to the charge polarization effect, both spin and charge polarizations together yield a polarized moment which compensates up to 60% of the impurity moment. Special case of cluster with completely compensated moment is also considered.     

Spin ordering in three-dimensional crystals with strong competing exchange interactions

In this paper we discuss magnetic ordering in three-dimensional crystals in which Heisenberg exchange interactions appear to dominate. Particular emphasis is placed on systems with strong competing exchange interactions, called frustrated spin systems. In the absence of such competition, one finds collinear spin ordering. However, strong competing interactions lead to non-collinear structures, often spirals and many variations thereof. The problem of understanding the origin and physical properties of such spin states within the classical Heisenberg model has been intensively addressed by a large community of researchers over the last 2–3 decades. The study of such problems actually began about five decades ago, and led to a large body of literature that has been overlooked in the publications of the last 2–3 decades (with two very recent exceptions). The early work established important fundamental concepts, including an unconventional theoretical approach, the generalized Luttinger–Tisza method and the idea of forced degeneracy. This resulted in the spin state called a ferrimagnetic spiral (FS), which enabled understanding of puzzling neutron diffraction data, plus NMR and ESR measurements, on the spinels XCr₂O₄, X?=?Mn, Co. Additional new aspects of this magnetic ordering have been uncovered in two very recent experimental works, indicating a partial spin-liquid-like behaviour and production of ferroelectricity by the pure spiral component of the FS. This exciting relevance of the early work to these modern results and the general lack of awareness of the early work has provided a source of motivation for this review, which covers that early body of work, both theoretical and experimental, and which also connects to the recent studies. A thorough discussion of the calculations, and comparison with experiments is presented. It will be seen that fundamental puzzles remain for these systems.     

Jahn-Teller, charge and magnetic ordering in half-doped manganese oxides

The phase diagram of half-doped manganite systems of formula A _0.5 A ^′ _0.5MnO₃ is investigated within a single-orbital model incorporating magnetic double-exchange and superexchange, together with intersite Coulomb and electron-lattice interactions. Strong Jahn-Teller and breathing mode deformations compete together and result in shear lattice deformations. The latter stabilize the charge-ordered CE-type phase, which undergo first-order transitions with temperature or magnetic field to either Ferromagnetic metallic or Paramagnetic insulating phases. An essential feature is the self-consistent screening of Coulomb and electron-phonon interactions in the ferromagnetic phase. Received 28 November 2000