Magnetic Resonance in Gadolinium Nanoparticles near the Curie Point

The Influence of temperature in the range from 275 to 320 K on ESR spectra and magnetization m of ensembles of spherical gadolinium nanoparticles with the diameter from 89 to 18 nm was studied. The particles with d = 18 nm had a cubic face centered structure and no magnetic transition. At T > T_C all particles were paramagnetic, and their g factors were g = 1.98 ± 0.02 irrespective of their size and structure. At T = T_C the particles having 28 to 89 nm in size experienced a magnetic and orientation transition; at T < T_C their m(H) dependences were described by the Langevin function, and the FMR lines broadened and shifted towards H = 0. FMR lines of the Gd particle ensembles showed a hysteresis behavior during magnetization reversal, which did not correlate with the coercivity of the particles. Dependences of the Gd nanoparticles FMR linewidth ΔH(T) changed proportionally to |T–T_C|.     

Magnetized Quark-Gluon Plasma at the LHC

In QCD, the strengths of the large scale temperature dependent chromomagnetic, B₃, B₈, and usual magnetic, H fields spontaneously generated in quark-gluon plasma after the deconfinement phase transition (DPT), are estimated. The consistent at high temperature effective potential accounting for the oneloop plus daisy diagrams is used. The heavy ion collisions at the LHC and temperatures T not much higher than the phase transition temperature T_d are considered. The critical temperature for the magnetized plasma is found to be T_d (H) ～ 110–120 MeV. This is essentially lower compared to the zero field value T_d (H=0) ～ 160–180 MeV usually discussed in the literature. Due to contribution of quarks, the color magnetic fields act as the sources generating H. The strengths of the fields are B₃(T), B₈(T) ～ 10¹⁸–10¹⁹ G, H(T) ～ 10¹⁶–10¹⁷ G for temperatures T ～ 160–220 MeV. At temperatures T < 110–120 MeV the effective potential minimum value being negative approaches to zero. This is signaling the absence of the background fields and color confinement.     

Variations in thermal properties of diamond under isothermal compression

State equation P(V/V ₀, T) and baric dependences of thermal properties of diamond have been obtained without any fitting parameters from the interatomic pair Mie–Lennard-Jones potential and the Einstein model of a crystal. Calculations have been performed along two isotherms (at T = 300 and 3000 K) up to P = 10000 kbar = 1000 GPa, i.e., to a relative volume of V/V ₀ = 0.5. The baric dependences have been obtained for the following characteristics: isothermal elastic modulus B _T and B'(P), isochoric heat capacity C _v and C _v ' (P), isobaric heat capacity C _p ; thermal expansion coefficient α _p and α _p ' (P); and specific surface energy σ, as well as its derivatives σ'(P) and σ'(T). It is shown that for P → ∞, functions B _T (P) and σ(P) vary linearly, functions B'(P), α _p (P), C _v (P), C _p (P) and σ'(P) tend to constants, while functions α _p '(P), C _v '(P), and difference C _p (P)–C _v (P) tend to zero. Good agreement with experimental data has been demonstrated.     

Thermodynamic and dilatometric properties of the dimerized phase of a C<Subscript>60</Subscript> fullerene

This paper reports on the results of complex investigations into the structural, thermodynamic, and dilatometric properties of the C₆₀ dimerized phase prepared under compression of a C₆₀ fullerite at a pressure up to 8 GPa and a temperature of 290 K. It is demonstrated that the dimerized phase has a face-centered cubic structure with a lattice parameter a=14.02±0.05 Å. The dimeric structure of the studied sample is confirmed by x-ray diffraction analysis. According to the dilatometric data, the volume jump observed in the vicinity of the orientational transition for the dimerized phase is estimated to be approximately 30 times less than that for the C₆₀ fullerite. The temperature dependence of the heat capacity of the (C₆₀)₂ crystalline dimer is examined using precision adiabatic vacuum calorimetry under normal pressure in the temperature range from T → 0 K to 340 K. The results obtained are used in the calculations of thermodynamic functions, namely, the heat capacity C _p ⁰ (T), the enthalpy H⁰(T)-H⁰(0), the entropy S⁰(T), and the Gibbs function G⁰(T)-H⁰(0). The fractal dimension D is determined as a function of the heat capacity. The standard entropy of the formation of the (C₆₀)₂ crystalline dimer from a simple compound (graphite) at T=298.15 K and normal pressure is calculated.     

Colossal room-temperature magnetoresistance in thin La<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Ag<Subscript>y</Subscript>MnO<Subscript>3</Subscript> epitaxial films

The first thin La_1?xAg_yMnO₃ epitaxial films (_y ≤ x) were grown on SrTiO₃ (110) substrates with silver present in the ionized state (Ag⁺) only. The Curie temperatures T_C of the compositions with x = y = 0.05, x = y = 0.1, and x = 0.3 and y = 0.27 crystallizing in the hexagonal structure \(R\bar 3c\) above or close to room temperature. The temperature dependences of electrical resistivity ρ and of magnetoresistance ¦Δρ/ρ/¦ = ¦(ρ_H ? ρ _H = 0)/ρ_H=0¦ pass through maxima near T_C, with the magnetoresistance being negative and reaching colossal values of ～7–20% in a magnetic field H = 8.2 kOe not only at T_C but also at room temperature. The magnetic moment per formula unit as derived from the saturation magnetization at T = 5 K is substantially smaller than expected for complete ferromagnetic ordering. The magnetization in fields of up to 6 kOe depends on the actual sample cooling conditions, and the hysteresis loop of a field-cooled sample is displaced along the H axis by ΔH. The above properties can be accounted for by the fact that the films are in a two-phase magnetic (ferromagnetic-antiferromagnetic) state induced by strong s-d exchange. The maximum value of Δ H was used to calculate the energy of exchange coupling between the ferromagnetic and antiferromagnetic parts of a sample.     

Thermodynamic study of compounds of the Nd-Ba-Cu-O system

Standard enthalpies of formation for solid solutions of composition Nd_{1 + x} Ba_{2 ? x} Cu₃O _y (x = 0–0.8, y = 6.65–7.24) from oxides were determined by solution calorimetry. The heat capacity of NdBa₂Cu₃O_6.87 phase was measured in the range 5–320 K by low-temperature adiabatic calorimetry. The absolute entropy S ^o(T), the difference of enthalpies H ^o(T)-H ^o(0 K), and the reduced Gibbs energy Φ^o(T) = S ^o(T)–[H ^o(T)–H ^o(0)]/T were calculated on the basis of smoothed dependence C _p (T) in the 0–320 K range. An assessment was made for the heat capacities and the absolute entropies of solid solutions Nd_1+x Ba_2?x Cu₃O _y . The obtained set of thermodynamic parameters can be used for the calculation of phase equilibria in the Nd-Ba-Cu-O system.     

Change in the lattice properties and melting temperature of a face-centered cubic iron under compression

All four parameters of the Mie–Lennard-Jones pair interatomic potential have been determined, and the state equation (P) and baric dependences of the lattice properties of an fcc iron are calculated using a previously proposed method. The dependences have been studied for the following properties: Debye temperature; the first, second, and third Gruneisen parameters; isothermal bulk modulus B _T and B′(P); isochoric specific heat C _v and C _v ′(P); isobaric specific heat C _p ; coefficient of thermal expansion α _p and α _p ′(P); specific surface energy σ and σ′(P). Calculations performed along two isotherms (1500 and 3000 K) have shown good agreement with the experimental data. Analytical approximations of the baric dependences for B′(P), α _p (P), C _p (P), and σ′(P) have been obtained, and it is shown that at P → ∞ the functions B _T (P) and σ(P) change linearly, while the functions α _p′(P) and C _p ′(P) tend to zero. The calculated baric dependence of the melting temperature shows good agreement with the experimental data.     

Adiabatic calorimetric study of the intense magnetocaloric effect and the heat capacity of (La<Subscript>0.4</Subscript>Eu<Subscript>0.6</Subscript>)<Subscript>0.7</Subscript>Pb<Subscript>0.3</Subscript>MnO<Subscript>3</Subscript>

The temperature dependences of the intense magnetocaloric effect ΔT _AD(T, H) and the heat capacity C _p (T) of the (La_0.4Eu_0.6)_0.7Pb_0.3MnO₃ manganite are directly measured using adiabatic calorimetry. The experimental dependences ΔT _AD(T) are in satisfactory agreement with those calculated from the data on the behavior of the magnetization. The factors responsible for the absence of an anomaly in the experimental temperature dependence of the heat capacity C _p (T) in the range of the magnetic phase transition are discussed.     

Anomalous low-temperature behavior of the thermal characteristics of MgB<Subscript>2</Subscript>

We have studied the behavior of the thermal expansion coefficient α(T) (in a zero magnetic field and at H≈4 T), the heat capacity C(T), and the thermal conductivity κ(T) of magnesium boride (MgB₂) in the vicinity of T_c and at lower temperatures. It was established that MgB₂, like oxide-based high-temperature superconductors, exhibits a negative thermal expansion coefficient at low temperatures. The anomaly of α(T) in MgB₂ is significantly affected by the magnetic field. It was established that, in addition to the well-known superconducting transition at T_c≈40 K, MgB₂ exhibits an anomalous behavior of both heat capacity and thermal conductivity in the region of T≈10–12 K. The anomalies of C(T) and κ(T) take place in the same temperature interval where the thermal expansion coefficient of MgB₂ becomes negative. The low-temperature anomalies are related to the presence of a second group of charge carriers in MgB₂ and to an increase in the density of the Bose condensate corresponding to these carriers at T_c2≈10–12 K.     

Crystallographic characteristics and phase transitions in the [N(C<Subscript>2</Subscript>H<Subscript>5</Subscript>)<Subscript>4</Subscript>]<Subscript>2</Subscript>CdBr<Subscript>4</Subscript> crystal in the low-temperature range

The results of x-ray structural studies of the [N(C₂H₅)₄]₂CdBr₄ crystal at low temperatures are presented. The unit cell parameters and the thermal expansion coefficients along the main crystallographic directions are measured at temperatures in the range from 90 to 320 K. The integrated intensities of the diffraction reflections are investigated as a function of the temperature. It is shown that the curves a = f(T), c = f(T), I ₅₀₀ = f(T), and I ₀₀₆ = f(T) at temperatures T ₁ ≈ 174 K and T ₂ ≈ 226 K exhibit anomalies in the form of abrupt changes in the lattice parameters and the diffraction reflection intensities. This indicates that the [N(C₂H₅)₄]₂CdBr₄ crystal undergo phase transitions at these temperatures. Moreover, there is an anomaly in the form of a small maximum at the temperature T ₃ = 293 K.     

Role of structure imperfection in the formation of the magnetotransport properties of rare-earth manganites with a perovskite structure

The structure, the structure imperfection, and the magnetoresistance, magnetotransport, and microstructure properties of rare-earth perovskite La_0.3Ln_0.3Sr_0.3Mn_1.1O_3–δ manganites are studied by X-ray diffraction, thermogravimetry, electrical resistivity measurement, magnetic, ⁵⁵Mn NMR, magnetoresistance measurement, and scanning electron microscopy. It is found that the structure imperfection increases, and the symmetry of a rhombohedrally distorted R3?c perovskite structure changes into its pseudocubic type during isovalent substitution for Ln = La³⁺, Pr³⁺, Nd³⁺, Sm³⁺, or Eu³⁺ when the ionic radius of an A cation decreases. Defect molar formulas are determined for a real perovskite structure, which contains anion and cation vacancies. The decrease in the temperatures of the metal–semiconductor (T _ms) and ferromagnet–paramagnet (T _C) phase transitions and the increase in electrical resistivity ρ and activation energy E _a with increasing serial number of Ln are caused by an increase in the concentration of vacancy point defects, which weaken the double exchange 3d ⁴(Mn³⁺)–2p ⁶(O^2–)–3d ³(Mn⁴⁺)–V ^(a)–3d ⁴(Mn³⁺). The crystal structure of the compositions with Ln = La contains nanostructured planar clusters, which induce an anomalous magnetic hysteresis at T = 77 K. Broad and asymmetric ⁵⁵Mn NMR spectra support the high-frequency electronic double exchange Mn³⁺(3d ⁴) ? O^2–(2p ⁶) ? Mn⁴⁺(3d ³) and indicate a heterogeneous surrounding of manganese by other ions and vacancies. A correlation is revealed between the tunneling magnetoresistance effect and the crystallite size. A composition–structure imperfection–property experimental phase diagram is plotted. This diagram supports the conclusion about a strong influence of structure imperfection on the formation of the magnetic, magnetotransport, and magnetoresistance properties of rare-earth perovskite manganites.     

Heat capacity and thermopower coefficient of the carbon preform of sapele wood

This paper reports on measurements of the heat capacity at constant pressure C _p in the 80–300-K temperature interval and the thermopower coefficient S at 5–300 K of the carbon preform of sapele wood, which was prepared at the carbonization temperature of 1000°C. Measurements of C _p (T), our previous data on the phonon thermal conductivity, and literature information on the sound velocity have been used to calculate the phonon mean free path l(T) for this material. It has been shown that within the temperature interval 200–300 K, l is constant and equal to 11 Å, a figure matching the size of the nanocrystallites (“graphite fragments”) making up the carbon framework of the sapele carbon preform. The high-temperature parts of S(T) have been found to follow a linear course characteristic of diffusive thermopower for the degenerate state of charge carriers, with only one type of charge carriers present. The anisotropy of the thermopower coefficient has been estimated.     

Thermodynamic properties of rhodium at high temperature and pressure by using mean field potential approach

The thermophysical properties of rhodium are studied up to melting temperature by incorporating anharmonic effects due to lattice ions and thermally excited electrons. In order to account anharmonic effects due to lattice vibrations, we have employed mean field potential (MFP) approach and for thermally excited electrons Mermin functional. The local form of the pseudopotential with only one effective adjustable parameter r_c is used to construct MFP and hence vibrational free energy due to ions – F_ion. We have studied equation of state at 300 K and further, to access the applicability of present conjunction scheme, we have also estimated shock-Hugoniot and temperature along principle Hugoniot. We have carried out the study of temperature variation of several thermophysical properties like thermal expansion (β_P), enthalpy (E_H), specific heats at constant pressure and volume (C_P and C_V), specific heats due to lattice ions and thermally excited electrons (C_V^ion and C_V^el, isothermal and adiabatic bulk moduli (B_T and B_s) and thermodynamic Gruneisen parameter (γ_th) in order to examine the inclusion of anharmonic effects in the present study. The computed results are compared with available experimental results measured by using different methods and previously obtained theoretical results using different theoretical philosophy. Our computed results are in good agreement with experimental findings and for some physical quantities better or comparable with other theoretical results. We conclude that local form of the pseudopotential used accounts s-p-d hybridization properly and found to be transferable at extreme environment without changing the values of the parameter. Thus, even the behavior of transition metals having complexity in electronic structure can be well understood with local pseudopotential without any modification in the potential at extreme environment. Looking to the success of present scheme (MFP + pseudopotential) we would like to extend it further for the study of liquid state properties as well as thermophysical properties of d and f block metals.     

Magnetic properties of Fe<Subscript>3</Subscript>C ferromagnetic nanoparticles encapsulated in carbon nanotubes

The low-temperature dependences of magnetic characteristics (namely, the coercive force H _c , the remanent magnetization M _r , local magnetic anisotropy fields H _a, and the saturation magnetization M _s ) determined from the irreversible and reversible parts of the magnetization curves for Fe₃C ferromagnetic nanoparticles encapsulated in carbon nanotubes are investigated experimentally. The behavior of the temperature dependences of the coercive force H _c (T) and the remanent magnetization M _r (T) indicates a single-domain structure of the particles under study and makes it possible to estimate their blocking temperature T _B = 420–450 K. It is found that the saturation magnetization M _s and the local magnetic anisotropy field H _a vary with temperature as ～T ^5/2.     

Behavior of dirty superconductors in high magnetic fields

This paper discusses some properties of homogeneous, dirty superconductors, where the motion of electrons in the normal state can be described as a diffusion process. It is shown that at the nucleation field (H _e2 orH _e3) corresponding to the onset of superconductivity, the order parameterΔ(r) satisfies a linearised equation which has the Landau-Ginsburg form atall temperatures. This considerably extends the validity of the existing calculations ofH _e2 andH _e3; it is possible to show in particular that the ratioH _e3/H _e2 and the form of the angular dependence ofH _e3 are independent of temperature. It is also possible to compute explicitely the local density of statesN(r,ω), at any pointr and energyω, for fields slightly belowH _e2 (orH _e3), when the order parameter is stronglyr-dependent. Due to some remarkable sum rule propertiesN (r,ω) depends only on the local value of the order parameterΔ(r). These results may be of use in the interpretation of tunneling experiments on the mixed state and on surface superconductivity.     

Synthesis,structural, and spectroscopic (FT-IR,NMR, and UV) Characterization of 1-(Cyclohexylmethyl)-2-(pyridin-2-yl)-1<Emphasis Type="Italic">H</Emphasis>-benzo[<Emphasis Type="Italic">d</Emphasis>]imidazole by experimental techniques and quantum chemical calculations

The title compound (II), 1-(cyclohexylmethyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole (C₁₉H₂₁N₃), was synthesized via N-alkylation of 2-(pyridin-2-yl)-1H-benzo[d]imidazole (I). Both compounds I and II were characterized by IR, NMR and UV-vis spectroscopy. Solid-state structure of compound II was determined by single-crystal X-ray diffraction technique. Furthermore, quantum chemical calculations employing density functional theory (DFT/B3LYP) method with the 6–311++G(d, p) basis set were performed for the theoretical characterization of the molecular and spectroscopic features of the compounds. Using the TD-DFT method, electronic absorption spectra of the compounds have been predicted at same level. When the obtained results were compared with the experimental findings, it is seen that theoretical results support the experimental data and a good agreement exists between them.     

Spin-polaron transport and magnetic phase diagram of iron monosilicide

The study of galvanomagnetic, magnetic, and magnetooptical characteristics of iron monosilicide in a wide range of temperatures (1.8–40 K) and magnetic fields (up to 120 kOe) has revealed the origin of the low-temperature sign reversal of the Hall coefficient in FeSi. It is shown that this effect is associated with an increase in the amplitude of the anomalous component of the Hall resistance ρ_H (the amplitude increases by more than five orders of magnitude with decreasing temperature in the range 1.8–20 K). The emergence of the anomalous contribution to ρ_H is attributed to the transition from the spin-polaron to coherent regime of electron density fluctuations in the vicinity of Fe centers and to the formation of nanosize ferromagnetic regions, i.e., ferrons (about 10 Å in diameter), in the FeSi matrix at T<T_C=15 K. An additional contribution to the Hall effect, which is observed near the temperature of sign reversal of ρ_H and is manifested as the second harmonic in the angular dependences ρ_H(?), cannot be explained in the framework of traditional phenomenological models. Analysis of magnetoresistance of FeSi in the spin-polaron and coherent spin fluctuation modes shows that the sign reversal of the ratio Δρ(H)/ρ accompanied by a transition from a positive (Δρ /ρ>0, T>T_m) to a negative (Δρ/ρ<0, T<T_m) magnetoresistance is observed in the immediate vicinity of the mictomagnetic phase boundary at T_m=7 K. The linear asymptotic form of the negative magnetoresistance Δρ/ρ ∝?H in weak magnetic fields up to 10 kOe is explained by the formation of magnetic nanoclusters from interacting ferrons in the mictomagnetic phase of FeSi at T<T_m. The results are used for constructing for the first time the low-temperature magnetic phase diagram of FeSi. The effects of exchange enhancement are estimated quantitatively and the effective parameters characterizing the electron subsystem in the paramagnetic (T>T_C), ferromagnetic (T_m<T< T_C), and mictomagnetic (T<T_m) phases are determined. Analysis of anomalies in the aggregate of transport, magnetic, and magnetooptical characteristics observed in the vicinity of H_m≈35 kOe at T<T_m leads to the conclusion that a new collinear magnetic phase with M∥H exists on the low-temperature phase diagram of iron monosilicide.     

Exchange and correlation in finite-temperature TDDFT

We discuss the finite-temperature generalization of time-dependent density functional theory (TDDFT). The theory is directly analogous to that at temperature T = 0. For example, the finite-T TDDFT exchange-correlation kernel f_xc(T, n) in the local density approximation can again be expressed as a density derivative of the exchange correlation potential f_xc(T, n) = [?v_xc(T, n)∕?n]δ(r ? r′), where n = N∕V is the electron number density. An approximation for the kernel f_xc(T, n) is obtained from the finite-T generalization of the retarded cumulant expansion applied to the homogeneous electron gas. Results for f_xc and the loss function are presented for a wide range of temperatures and densities including the warm dense matter regime, where T ≈ T_F, the electron degeneracy temperature. The theory also permits a physical interpretation of the exchange and correlation contributions to the theory.     

Electron transport,penetration depth,and the upper critical magnetic field in ZrB<Subscript>12</Subscript> and MgB<Subscript>2</Subscript>

We report on the synthesis and measurements of the temperature dependences of the resistivity ρ, the penetration depth λ, and the upper critical magnetic field H_c2, for polycrystalline samples of dodecaboride ZrB₁₂ and diboride MgB₂. We conclude that ZrB₁₂ behaves as a simple metal in the normal state with the usual Bloch-Grüneisen temperature dependence of ρ(T) and with a rather low resistive Debye temperature T_R = 280 K (to be compared to T_R = 900 K for MgB₂). The ρ(T) and λ(T) dependences for these samples reveal a superconducting transition in ZrB₁₂ at T_c = 6.0 K. Although a clear exponential λ(T) dependence in MgB₂ thin films and ceramic pellets was observed at low temperatures, this dependence was almost linear for ZrB₁₂ below T_c/2. These features indicate an s-wave pairing state in MgB₂, whereas a d-wave pairing state is possible in ZrB₁₂. In disagreement with conventional theories, we found a linear temperature dependence, of H_c2(T) for ZrB₁₂ (H_c2(0) = 0.15 T).     

Electron localization during an electronic-topological transition in Mo-Re alloys

Oscillations in the superconducting transition temperature ΔT _c (P), in the critical magnetic field ΔH _c (P), in the thermopower α / T (T ²), and in electrical resistivity ρ(T) (P is pressure) of Mo_1?x -Re _x alloys are observed at low temperatures against the background of specific features related to an electronic-topological transition (ETT) in these alloys. The oscillations are sensitive to the impurity concentration: they increase when the Re impurity concentration is close to the critical concentration C _c at which the ETT occurs. Oscillations are also detected in the concentration dependences of the temperature coefficient of resistivity (?ρ / ?T (C)) and the thermopower derivative (?(α/T) / ?T ² (C)) of Mo_1?x -Re _x alloys at low temperatures. The former and latter oscillations are shown to correlate with each other. These specific features are assumed to result from the ETT and to be related to the localization of the part of the electrons that fill a new cavity in the Fermi surface during this transition.