Low-dimensional exchange interactions,structural deformation,and antiferromagnetic ordering in lithium manganite LiMnO<Subscript>2</Subscript>

Structure deformation in lithium manganite LiMnO₂ has been analyzed. It is shown that suppression of the Jahn-Teller effect with a decrease in temperature is related to striction effects, which are caused by intercluster exchange interactions. It is concluded that low-dimensional interactions play an important role in the formation of magnetic properties of lithium manganite.     

Electronic properties of orthorhombic LiGaS<Subscript>2</Subscript> and LiGaSe<Subscript>2</Subscript>

We report theoretical calculations of the band structure and density of states for orthorhombic LiGaS₂ (LGS) and LiGaSe₂ (LGSe). These calculations are based on the full potential linear augmented plane wave (FP-LAPW) method within a framework of density functional theory. Our calculations show that these crystals have similar band structures. The valence band maximum (VBM) and the conduction band minimum (CBM) are located at Γ, resulting in a direct energy band gap. The VBM is dominated by S/Se-p and Li-p states, while the CBM is dominated by Ga-s, S/Se-p and small contributions of Li-p and Ga-p. From the partial density of states we find that Li-p hybridizes with Li-s below the Fermi energy (E _F), while Li-s/p hybridizes with Ga-p below and above E _F. Also, we note that S/Se-p hybridizes with Ga-s below and above E _F.     

Magnetic transformations and structural disorder in lithium manganite LiMnO<Subscript>2</Subscript>

Investigation of the structural and magnetic characteristics of lithium manganite LiMnO₂ with a variable Li/Mn ratio has been performed. A significant difference in the ⁷Li NMR spectra in the paramagnetic and antiferromagnetic manganite phases is revealed. It is shown that the common feature of the compositions studied is a high degree of structural disorder, which manifests itself in the presence of manganese ions in lithium positions (Mn_Li) and lithium ions in manganese positions (Li_Mn); this effect is also characteristic of the stoichiometric composition.     

Experimental study of antiferromagnetic resonance in noncollinear antiferromagnetic Mn<Subscript>3</Subscript>Al<Subscript>2</Subscript>Ge<Subscript>3</Subscript>O<Subscript>12</Subscript>

The structural and magnetic properties of the mesoporous systems based on silicon dioxide with a regular hexagonal arrangement of pores several microns in length and several nanometers in diameter, which are filled with iron compound nanofilaments in various chemical states, are studied in detail. The studies are performed using the following mutually complementary methods: transmission electron microscopy, SQUID magnetometry, electron spin resonance, Mössbauer spectroscopy, polarized neutron small-angle diffraction, and synchrotron radiation diffraction. It is shown that the iron nanoparticles in pores are mainly in the γ phase of Fe₂O₃ with a small addition of the α phase and atomic iron clusters. The effective magnetic field acting on a nanofilament from other nanofilaments is 11 mT and has a dipole nature, the ferromagnetic–paramagnetic transition temperature is in the range 76–94 K depending on the annealing temperature of the samples, and the temperature that corresponds to the change in the magnetic state of the iron oxide nanofilaments is T ≈ 50–60 K at H = 0 and T ≈ 80 K at H = 300 mT. It is also shown that the magnetization reversal of an array of nanofilaments is caused by the magnetostatic interaction between nanofilaments at the fields that are lower than the saturation field.     

Magnetic excitations in antiferromagnetic Bi<Subscript>2</Subscript>CuO<Subscript>4</Subscript>

Magnetic excitations in the antiferromagnetic Bi₂CuO₄ (T _N =42K) are investigated on the basis of anisotropic exchange interaction between spins of Cu²⁺ ions. We calculate the dispersion curves and evaluate the intensity of the inelastic neutron scattering by spin wave excitations. Spin contraction at OK and the effect of spin wave interaction are studied.     

Magnetic and ferroelectric ordering in BiMn<Subscript>2</Subscript>O<Subscript>5</Subscript> oxide

A group-theoretical analysis of the magnetic phase of BiMn₂O₅ oxide is performed using the space symmetry group of the compound. Using the projection operator method, we determine the basis functions of the irreducible representation of the space group, which are expressed in terms of the magnetic vector components. This representation can govern two phase transitions from the paramagnetic state to the antiferromagnetic phase with close temperatures and ordering of the spins of manganese ions in two crystallographic positions. It is found from renorm group analysis of these transitions that when these transitions occur as second- order transitions, the electric polarization does not appear in the system because spin fluctuations in this case elevate the symmetry of the system. Polarization appears when at least one of these transitions becomes a first-order transition as a result of spin fluctuations.     

Peculiarities of the dielectric,elastic, and anelastic properties of the PbFe<Subscript>1/2</Subscript>Nb<Subscript>1/2</Subscript>O<Subscript>3</Subscript> ferroelectromagnet at the antiferromagnetic phase transition

Peculiarities in the behavior of the dielectric, elastic, and anelastic properties of the PbFe_1/2Nb_1/2O₃ ceramic ferroelectromagnet have been found and investigated near the antiferromagnetic phase transition (Néel temperature T _N = 160 K). It is established that the transition to the antiferromagnetic phase leads to a decrease in the permittivity and elastic compliance. The anomaly of permittivity found near T _N indicates the presence of magnetoelectric interaction in the magnetically ordered phase.     

Magnon satellite bands in the optical spectrum of antiferromagnetic Rb<Subscript>2</Subscript>MnCl<Subscript>4</Subscript>

The evolution of optical absorption in a two-dimensional antiferromagnet is investigated in the range of the transition ⁶A_1g → ⁴A_1g, ⁴E _g (⁴G) observed in manganese ions in an external magnetic field inducing noncollinearity of the magnetic structure. It is revealed that hot and cold satellites of the exciton-magnon bands appear in the optical absorption spectrum and then increase in intensity. The shapes of the magnon satellite bands corresponding to a two-dimensional magnetic structure are calculated. It is demonstrated that magnons at the inner points of the Brillouin zone appreciably contribute to the absorption. The zero-point magnetic oscillations play a decisive role in the absorption associated with the magnon decay at low temperatures.     

Two-dimensional antiferromagnetic correlations in an La<Subscript>1.4</Subscript>Sr<Subscript>1.6</Subscript>(Mn<Subscript>0.9</Subscript>Co<Subscript>0.1</Subscript>)<Subscript>2</Subscript>O<Subscript>7</Subscript> single crystal

The temperature and field dependences of the magnetization, the electrical resistivity, and the magnetostriction of bilayer lanthanum manganite La_1.4Sr_1.6Mn₂O₇ single crystals and cobalt-doped La_1.4Sr_1.6(Mn_0.9Cu_0.1)₂O₇ are measured. The magnetostriction of the cobalt-doped compound increases as compared to the initial La_1.4Sr_1.6Mn₂O₇ compound, and the magnetization and the magnetoresistance of the former compound change substantially. Powder and single-crystal neutron diffraction patterns are used to detect ferromagnetic ordering in La_1.4Sr_1.6(Mn_0.9Co_0.1)₂O₇ at a temperature below T _C ~ 45(2) K, and this ordering coexists with antiferromagnetic correlations, which develop at temperatures below T _C ~ 80(5) K.     

Statistical mechanics of cation ordering in PbSc<Subscript>1/2</Subscript>Ta<Subscript>1/2</Subscript>O<Subscript>3</Subscript> and PbSc<Subscript>1/2</Subscript>Nb<Subscript>1/2</Subscript>O<Subscript>3</Subscript> solid solutions

A model Hamiltonian for B cation ordering (Sc-Nb(Ta)) in PbSc_1/2Nb_1/2O₃ and PbSc_1/2Ta_1/2O₃ solid solutions is constructed. The parameters of the model Hamiltonian are determined from the ab initio calculation within the ionic crystal model with allowance made for the deformability and the dipole and quadrupole polarizabilities of the ions. The temperatures of the phase transition due to the ordering of the B cations are calculated by the Monte Carlo method in the mean-field and cluster approximations. The phase transition temperatures calculated by the Monte Carlo method (1920 K for PbSc_1/2Ta_1/2O₃ and 1810 K for PbSc_1/2Nb_1/2O₃) are consistent with the experimental data (1770 and 1450 K, respectively). The thermodynamic properties of the cation ordering are investigated using the Monte Carlo method.     

Dipole ordering and ionic conductivity in NASICON-Type Na<Subscript>3</Subscript>Cr<Subscript>2</Subscript>(PO<Subscript>4</Subscript>)<Subscript>3</Subscript> structures

The aspects of structure, dipole ordering, and ionic conductivity of the Na₃Cr₂(PO₄)₃ crystal with the four polymorphic phases (α, α', β, and γ) have been investigated. The features of the α-Na₃Cr₂(PO₄)₃ crystal structure and its dipole ordering and relaxation polarization in the low-temperature α and α' phases have been refined. The occurrence of Na₃Cr₂(PO₄)₃ dipole ordering in the α and α' phases and high ionic conductivity in the β and γ phases is attributed to the structural changes in the rhombohedral [Me₂(PO₄)₃]^–3_3∞ crystal frame upon phase transformations α → α', α' → β, and β → γ. A model for explaining the dipole ordering and ionic conductivity phenomena in Na₃Cr₂(PO₄)₃ is proposed.     

Anisotropy of g-factor of Cu<Subscript>2+</Subscript> ion and Anisotropic exchange interaction between Spins in antiferromagnetic Bi<Subscript>2</Subscript>CuO<Subscript>4</Subscript>

To study the anisotropy of g-factor of Cu²⁺ ion in the antiferromagnetic Bi₂CuO₄ having an interesting crystal structure, we calculate the energy splitting of the orbital state of Cu²⁺ ion due to the electric crystalline field arising from the surrounding O²⁺, Bi³⁺ and Cu²⁺ ions. On the basis of Pryce's spin Hamiltonian we evaluate g-tensor of each Cu²⁺ ion in the unit cell. We also discuss the anisotropic exchange interaction which is important as the origin of the anisotropy energy for Cu²⁺ ion with S=1/2. The results are discussed in connection with observations.     

Coexistence of antiferromagnetic and paramagnetic electronic phases in quasi-one-dimensional (TMTSF)<Subscript>2</Subscript>PF<Subscript>6</Subscript>

Phase transitions occuring in a quasi-one-dimensional organic compound (TMTSF)₂PF₆ near the boundaries between the paramagnetic metallic (PM), antiferromagnetic insulator (AFI), and superconducting (SC) states were studied experimentally. A controlled transition through the phase boundary was achieved by maintaining the sample at fixed temperature T and pressure P, while the critical pressure was tuned by varying a magnetic field B. When the PM/AFI phase boundary was crossed due to the variation of a magnetic field, history effects were observed: the resistance was found to depend on the trajectory described by the system before arriving at a given point (P-B-T) of the phase space. The results of the experiment give evidence for the formation of a macroscopically inhomogeneous state characterized by the inclusions of a minor phase that is spatially separated from the major phase. Away from the phase boundary, the homogeneous state is restored. After this, upon approaching the phase boundary in the back direction, the system exhibits no features of the minor phase up to the very boundary.     

Structure,charge ordering and physical properties of Yb<Subscript>2</Subscript>Fe<Subscript>3</Subscript>O<Subscript>7</Subscript>

The structural and physical properties of the layered Yb₂Fe₃O₇ have been extensively investigated. Transmission electron microscopy (TEM) observations at room temperature reveal the presence of diffuse zigzag-type streaks at 1/3(h h l) running along the c* axis direction, suggesting the presence of a charge ordered state with a shorter coherence length in comparison with that in Lu₂Fe₃O₇. The measurements of magnetization demonstrate that the replacement of Lu³⁺ by the magnetic Yb³⁺ ion in this layered system could result in visible effects on the low-temperature magnetic properties: the ferrimagnetic phase transition temperature decreases and an additional magnetic anomaly possibly attributed to antiferromagnetic coupling between Yb and Fe layers appears at around 50 K. Analysis of the dielectric properties shows that the Yb₂Fe₃O₇ material in general has a large dielectric constant of about 5000 at room temperature, and a broader relaxation time distribution in comparison with ErFe₂O₄.     

Charge ordering,superconductivity, and stripes in doped La<Subscript>2</Subscript>CuO<Subscript>4</Subscript>

The special features of the phase diagrams of La_2?xSr_xCuO₄ are considered in terms of the high-temperature superconductivity model according to which the mechanism responsible for the anomalous properties of these compounds is the interaction of electrons with diatomic negative U-centers. A microstructural model that assumes the coexistence of domains with different types of dopant ion ordering is suggested for La_2?xSr_xCuO₄. According to this model, the main characteristics of the experimental phase diagrams of La_2?xSr_xCuO₄ only reflect square lattice geometric relations and competition between different dopant ordering types. Close agreement between the calculated and experimental “superconducting” and “magnetic” phase diagrams is an important argument in favor of the suggested high-temperature superconductivity model.     

On the possible coexistence of spiral and collinear structures in antiferromagnetic KFe(MoO<Subscript>4</Subscript>)<Subscript>2</Subscript>

The static and resonance properties of a quasi-two-dimensional antiferromagnet phase on a distorted triangular lattice of KFe(MoO₄)₂ have been experimentally studied. Magnetization curves exhibit features corresponding to the spin-flop transition in a collinear biaxial antiferromagnet and simultaneously show a magnetization plateau characteristic of a triangular spin structure. The magnetic resonance spectra also display absorption lines corresponding to the spin structures of both types. The experimental data are described in terms of a model comprising alternating weakly bound magnetic layers, in which the main two exchange integrals have different values. Below the Néel temperature (T _N =2.5 K), some of these layers possess a collinear antiferromagnetic structure, while the other layers have a triangular or spiral structure.     

Domain structure and charge ordering in a layered manganite La<Subscript>1.2</Subscript>Sr<Subscript>1.8</Subscript>Mn<Subscript>2</Subscript>O<Subscript>7</Subscript> crystal

Charge ordering in a layered manganite La_1.2Sr_1.8Mn₂O₇ crystal with structural domains was studied using neutron diffraction in the temperature range 175–700 K. The wave vector of the charge ordering in the crystal is found to be q ? {0.2, 0, 0}2π/a. It is argued that the actual domain structure of the anisotropic crystal affects its charge-ordering state.     

Specific heat of La(Fe<Subscript>0.873</Subscript>Co<Subscript>0.007</Subscript>Al<Subscript>0.12</Subscript>)<Subscript>13</Subscript> compound in antiferromagnetic and ferromagnetic states

The low-temperature specific heat C _p of La(Fe_0.873Co_0.007Al_0.12)₁₃ compound has been measured in two states: (i) antiferromagnetic (AFM) with a Néel temperature of T _N = 192 K and (ii) ferromagnetic (FM). The FM order appears at T = 4.2 K in a sample exposed to an external magnetic field with induction B _C ≥ 2.5 T and is retained for a long time in a zero field at temperatures up to T*_C = 23 K. The coefficient γ_FM in the low-temperature specific heat C = γT + βT ³ in the FM state differs quite insignificantly from that (γ_AFM) in the AFM state. Contributions to the low-temperature specific heat, which are related to a change in the elastic and magnetoelastic energy caused by magnetostrictive deformations, are considered.     

Correlation between quantum charge fluctuations and magnetic ordering in multiferroic LuFe<Subscript>2</Subscript>O<Subscript>4</Subscript>

We examine the interplay between quantum charge fluctuations and magnetic ordering in multiferroic LuFe₂O₄ and show that this can couple spin and charge degrees of freedom in a LuFe₂O₄ bilayer below the Neel temperature T _N . Our analysis supports the idea that the double exchange mechanism normally used in metallic systems can be applied to charge-ordered insulators. This causes ferrimagnetic spin order to reduce the transfer integrals between Fe²⁺ and Fe³⁺ in LuFe₂O₄, decreasing charge fluctuations and increasing the polarization in this system below T _N . This work thus provides a more detailed understanding of the mechanism for spin-charge coupling in LuFe₂O₄.