Ferromagnetism of manganese compounds

The possibility of ferromagnetic instability in a system with hopping between manganese cations and oxygen anions has been investigated on the basis of the concept of strong electron-electron interaction in one unit cell. A phase diagram for ferromagnetic ordering as a function of the filling factors of the 2p ⁶-shell of oxygen (n _p ) and 3t ₆ ^g -shell of manganese (n _t ) has been constructed. Zh. éksp. Teor. Fiz. 113, 1101–1111 (March 1998)     

Ferromagnetism of manganese compounds

It is shown on the basis of the notion of a strong electron-electron interaction in the unit cell that a ferromagnetic instability is possible in a system with hops between manganese cations and oxygen anions. The phase diagram for the existence of ferromagnetic ordering as a function of the degrees of underfilling n _p and n _t of the 2p ⁶ shell of oxygen and the 3t _g ⁶ shell of manganese, respectively, is constructed. Pis’ma Zh. éksp. Teor. Fiz. 66, No. 4, 254–259 (25 August 1997)     

A Derivative Formula for the Free Energy Function

We consider bond percolation on the Z ^d lattice. Let M _n be the number of open clusters in B(n)=[−n,n] ^d . It is well known that E _p M _n /(2n+1) ^d converges to the free energy function κ(p) at the zero field. In this paper, we show that s²_p(M_n)/(2n+1)^d\sigma^{2}_{p}(M_{n})/(2n+1)^{d} converges to −p(1−p)κ′(p).     

Piezoelectric properties of non-uniform polymeric structures under static load

ABSTRACT

Piezo-electrical properties of structures containing ‘soft’ and ‘hard’ dielectric layers with charge stored on the interfaces are described in the paper. The piezo-activation process of structures containing layers with gas voids by partial discharges is described. The influence of the mechanical properties of the ‘soft’ layer on the piezoelectric parameter d₃₃ value and its dependence on the static pressure p are also discussed. It was found experimentally, that for the fibrous type of ‘soft’ dielectric layer, the dependence of the piezoelectric parameter d₃₃ (p) can be described by the function d₃₃ ÷ p^?n, where n ≤ 1.     

On the nonphonon superconductivity of silver-oxygen chains

It is established on the basis of a concept of strong coupling in a single unit cell that the Cooper instability can occur in a system with hopping between the cations and anions of transition and main-group elements. A phase diagram is constructed for the ferromagnetic ordering in the coordinates (h _d , h _p ) of the degrees of underfilling of, respectively, the 4d ¹⁰ and 2p ⁶ shells of transition and main-group elements.     

Single-ion approach to the interpretation of the x-ray photoelectron spectra of the valence bands of monoxides of 3d elements

The single-ion approach taking account of only the intra-atomic Coulomb interaction in free d ⁿ ions and in d ⁿ ions in an O _h crystal field is used to analyze the fine structure of the x-ray photoelectron spectra of the valence bands of monoxides of 3d elements. The x-ray photoelectron spectra were studied as a collection of d ⁿ⁻¹ and d ⁿ L multiplets representing the unscreened and screened parts, respectively, of the final state. The unscreened part of the final state can be described by the distribution of the line strengths of the photoelectronic transition d ⁿ → d ⁿ⁻¹ and the screened part can be described as a partially relaxed distribution of the statistical weights of the d ⁿ ions. Fiz. Tverd. Tela (St. Petersburg) 39, 1056–1063 (June 1997)     

Emission of light nuclei (<Emphasis Type="Italic">p,d, t</Emphasis>, α) in the process of annihilation of slow antiprotons in nuclear emulsion

The annihilation of slow (∼7 MeV) antiprotons in nuclear emulsion has been studied. The yields and energy spectra of p, d, t, and α particles in the evaporation region have been measured. The shape of the spectra of p, d, and t is in agreement with the Maxwell distribution and the excitation energy of a nucleus is consistent with a theoretical estimate for evaporation from the equilibrium state. The probability of the absorption of antiprotons inside the nucleus estimated from the multiplicity of h particles is ɛ = (2.0 ± 0.6) × 10⁻². The relative d/p yield coincides with a similar ratio appearing in the capture of slow π⁻ mesons by nuclei in the nuclear emulsion. The yields of t and α particles in the process of the annihilation of antiprotons are much higher than those in a similar process for pions. To identify g particles (0.29 < β < 0.70), energy losses dE/dx on ionization and multiple scattering have been measured. In this velocity region, the yields of p, d, t, and pions have been observed. The ratios (n _d /n _p ) _g , (n _d /n _p ) _b , and n _d /n _p measured in the capture of π⁻ mesons are almost the same. In this velocity range (g particles), α particles have not been observed.     

Thermodynamics of a vortex system in a thin superconducting film with radiation defects

The effect of radiation defects on the thermodynamics of a system of Pearl vortices in a thin superconducting film is examined. The scenario for a Kosterlitz-Thouless transition in this system is shown to depend on the defect concentration n _d . At low concentrations, the transition takes place continuously, while at high concentrations, a range of temperatures exists in which there are two metastable states. The concentrations of free vortices and of vortices captured by defects are calculated as functions of temperature for different defect concentrations n _d . A phase diagram is constructed for the vortex system in the n _d −T plane. Zh. éksp. Teor. Fiz. 116, 1081–1090 (September 1999)     

The effect of the heating rate on the phase transition

ABSTRACT

The simple cubic spin-1 Ising model exhibits the ferromagnetic (F)–ferromagnetic (F) phase transition in the low temperature region for the interval 1.40 < d = D/J < 1.48 at k = K/J = –0.5. The degree of the F-F phase transition determines the special point on the (k_BT/J, d) phase diagram. In this paper, the critical behavior of the F-F phase transition was investigated for different heating rates using the cellular automaton heating algorithm. The universality class and the type of F-F phase transition were analyzed using the finite-size scaling theory and the power law relations. The results show that the F-F phase transition may be the second order, the first order or the weak first order depending on the heating rate in the interval 1.40 < d < 1.48 for k = –0.5.     

电子相关对Xe10+离子4d8—4d75p跃迁系跃迁概率的影响

应用多组态Dirac-Fock(MCDF)方法,对Xe¹⁰⁺离子进行了理论计算,获得了跃迁波长和概率等数据.通过逐步引入4dⁿ—5pⁿ(n=1, 2, 3)电子相关的相互作用组态,重点研究了电子相关效应对4d⁸—4d⁷5p跃迁系跃迁概率的影响.结果显示电子相关效应显著,表明了欲得到精确的4d⁸—4d⁷5p的振子强度(跃迁概率)数据,理论计算中至少要包括到4d²—5p²的电子相关组态的影响.与实验测得的跃迁波长比较发现,理论结果与之有着较好的一致性;同时理论跃迁概率在两种规范下的结果符合得相当精确,显示了计算结果的可靠性. 关键词： 多组态Dirac-Fock(MCDF)方法 电子相关 跃迁概率     

Superconducting and magnetic properties of Nb/Pd 1-xFex/Nb triple layers

The superconducting and magnetic properties of Nb/Pd_1-xFe_x/Nb triple layers with constant Nb layer thickness d_Nb=200 ? and different interlayer thicknesses 3 ?≤ d_PdFe ≤ ? are investigated. The thickness dependence of the magnetization and of the superconducting transition temperature shows that for small iron concentration x the Pd_1-xFe_x layer is likely to be in the paramagnetic state for very thin films whereas ferromagnetic order is established for x ≥ 0.13. The parallel critical field B_c2||(T){B_{c2||}}(T) exhibits a transition from two-dimensional (2D) behavior where the Nb films are coupled across the interlayer, towards a 2D behavior of decoupled Nb films with increasing d_PdFeand/or x. This transition allows a determination of the penetration depth x_F{\xi _F} of Cooper pairs into the Pd_1-xFe_x layer as a function of x. For samples with a ferromagnetic interlayer x_F{\xi _F} is found to be independent of x.     

Phonon-free mechanism of superconductivity in compounds containing quasi-two-dimensional NiB complexes

A study is made of some characteristics of phonon-free pairing of hybridized p and d electrons in planar NiB complexes in the presence of strong short-range Hubbard repulsion. A generalized Hubbard model is used to calculate the superconductivity phase diagram as a function of the degree of underfilling of the 2p ⁶ and 3d ¹⁰ shells in NiB complexes. The phase region of states having the highest superconducting transition temperatures is established. Fiz. Tverd. Tela (St. Petersburg) 40, 198–201 (February 1998)     

Simple one-centre calculation of breathing force constants and equilibrium internuclear distances for NH3, H2O and HF

Total molecular energies, breathing force constants and equilibrium internuclear distances are determined for the NH₃, H₂O and HF molecules using a single determinant wave function of the simplified one-centre form s ² s′² p _x ² p _y ² p _z ², where each of the five Slater orbitals, s, s′, p _x , p _y , p _z , is characterized by an effective orbital exponent ζ and an effective principal quantum number n. Five different calculations are performed for each molecule: in (a) the orbitals are centred on the heavy atom, the parameters n are taken to be integral, and the orbitals p _x , p _y and p _z are given the same ζ values (the spherical approximation); in (b) the orbitals p _x , p _y and p _z are allowed to have different ζ values (the ellipsoidal approximation); (c) and (d) are the same as (a) and (b) except that non-integral n values are allowed; (e) is the same as (d) except that the orbital centre also is taken to be a variational parameter. The values obtained are compared with experimental values (the agreement is surprisingly good) and with values from previous one-centre wave functions. The electronic densities for the various spherical approximations are tabulated.     

Nonphonon mechanism of superconductivity in compounds with quasi-two-dimensional complexes RuO2

The characteristics of nonphonon pairing of hybridized p and d electrons in planar complexes RuO₂ are studied in the presence of a strong short-range Hubbard repulsion. The phase diagram of superconductivity as a function of the degree of underfilling of the 2p ⁶ and 4d ⁶ shells in the RuO₂ complexes is calculated in a generalized Hubbard model. Fiz. Tverd. Tela (St. Petersburg) 40, 980–983 (June 1998)     

Resonant inelastic x‐ray scattering from highly correlated dysprosium compounds

Dy₂O₃ and Dy metal's resonant inelastic x‐ray scattering (RIXS) spectra were measured in the Beijing Synchrotron Radiation Facility. As a bulk sensitive probe and two‐photon process, RIXS provides more information on the electronic structure of matter. In this full RIXS experiment, the 2p⁶4fⁿ→ 2p⁵4fⁿ5d¹ (2p⁵4f^{n + 1}5d⁰) → 2p⁶3d⁹4fⁿ5d¹ (2p⁶3d⁹4f^{n + 1}5d⁰) channel of two samples (Dy₂O₃ and Dy metal) was studied. Further comparison shows that there are many differences in the RIXS spectra. Dy metal has only a single resonance and its 5d band is broader than that of Dy₂O₃. In the resonant regime, it has a lower final state energy, whereas in the non‐resonant regime it exceeds Dy₂O₃. This causes a broader bandwidth of the main final state B and a narrower bandwidth in the resonant and non‐resonant regime. The pre‐edge structure in Dy L₃ absorption spectra was also resolved using RIXS, which cannot be seen in conventional XAS owing to 2p core hole lifetime broadening. Copyright © 2005 John Wiley & Sons, Ltd.     

Spin fluctuations and peculiarities of semiconductor-metal electronic transitions in almost ferromagnetic compounds of transition metals

The influence of spin fluctuations on the energy spectra of sp and d current carriers in almost ferromagnetic semiconductors based on compounds of d transition metals is examined. It is shown that because electron spectra split in the fluctuating exchange fields in almost ferromagnetic systems, electronic transitions of the type semiconductor-metal are possible, accompanied by the disappearance of energy gaps in the spectra of the sp and d electrons at various temperatures and by a shift of the chemical potential into the region of allowed energies. A specific analysis of similar electronic transitions is presented, based on the almost ferromagnetic compound FeSi. Fiz. Tverd. Tela (St. Petersburg) 41, 1792–1796 (October 1999)     

Superconductivity of strongly correlated electrons in copper and ruthenium oxides within the t-J-I model

We propose a t-J-I model with direct ferromagnetic exchange I to explain the superconductivity of copper oxides and the ruthenate Sr₂RuO₄ on the basis of the analysis of the electronic structure of these substances. We analyze the possible p-and d-type superconducting solutions. Solutions of the s type with singlet pairings are impossible in the strong-electron-correlations regime, and p-type solutions correspond to triplet superconductivity and is formed near the ferromagnetic instability threshold in ruthenates. The solution with the symmetry near the antiferromagnetic instability threshold corresponds to copper oxides. We also discuss the reason for the high values of the superconducting transition temperature (T _c ∼100 K) in copper oxides and the low values (T _c ∼1 K) in ruthenates. Zh. éksp. Teor. Fiz. 116, 655–670 (August 1999)     

Strain-induced photoreflectance spectra in the vicinity of the E 0 transition in GaAs/Si and InP/Si heterostructures

A study is reported of the structure of photoreflectance (PR) spectra in the vicinity of the E ₀ transition from thin (d=1–5 μm) n-GaAs and n-InP films (n=10¹⁶–10¹⁷ cm⁻³) grown epitaxially on Si(001) substrates. A quantitative analysis of the spectra involving multi-component fitting shows that the electronic optical transition from the {3/2;±1/2} subband provides a dominant contribution to the intermediate-field electromodulation component in both systems. The splitting observed in the GaAS/Si PR spectra near the main peak are accounted for not by the strain-induced valence-band splitting but rather by a spectral superposition of the intermediate-field component due to the {3/2;±1/2} subband with a low-energy excitonic component. The analytically established transition energy E ₀ ^3/2;±1/2 is used to calculate biaxial strains in epitaxial films. Fiz. Tverd. Tela (St. Petersburg) 41, 725–731 (April 1999)     

Non-empirical pseudo-potentials for molecular calculations

Our non-empirical pseudo-potential method is tested on the molecules ScH₃, TiH₃F, MnO₄ ^-, Zn(CH₃)₂ and Pd(CO)₄. The calculations are performed with the PSIBMOL algorithm, described in paper I (Molec. Phys., 1977, 33, 159) at the independent particle restricted Hartree-Fock level with minimal and double-zeta basis sets of Slater orbitals expanded in gaussian functions. The agreement between pseudo-potential and all-electron calculations for these molecules is as good as for non-transition element compounds as concerns valence molecular orbital energies and expectation values of various one-electron operators. The general conclusion of this series (papers I, II and III) is that our non-empirical pseudo-potential method can now be used as a routine tool to predict efficiently the ground-state valence electronic properties of molecules containing any atom of the Periodic Table as far as relativistic effects remain unimportant.     

Isobaric Analogue State of the 341 KeV Level of Mn56 and Fe56

When Mn⁵⁵ is bombarded by protons, a proton capture resonance is detected at E_p = (1678 ± 4) KeV. The spectral and angular distribution studies of the (p, γ) and (p, p) reactions at this resonance have established J^π = 3⁺, l_p, = 1, Γ_p = (1 = 0.2) KeV and Γ = 17 KeV for the energy level at (11836 ± 4) KeV in the Fe⁵⁶ nucleus. Comparison of the present results with those obtained by (n, γ) and (d, p) reactions on the Mn⁵⁵ nucleus suggests that this resonance state is most probably the isobaric analogue of one member of the doublet at 341 KeV in the Mn⁵⁶ nucleus.