Superconductivity of Li under pressure

The superconductivity of Li under pressure is studied by a density functional method. Structural and elastic properties, transition temperature (T_c), density of states (DOS), are considered for the material at ambient and at higher pressures. The calculations, particularly of T_c and DOS as a function of pressure, are compared with other available results. This is in view of the wide difference between the previously predicted maximum T_c-value and those observed by both magnetic susceptibility and electrical resistivity experiments. The present calculations yield better estimates of T_c and other parameters with respect to measured values.     

Electrical resistivity of iron-vanadium alloys between 78 and 1200 K

Electrical resistivity (?) of FeV alloys containing 0.5, 0.9, 2.7, and 6.1 at% V has been measured as a function of temperature (T) between 78 and 1200 K. The ? vs. T curves exhibit a change in the slope at the ferromagnetic Currie temperature (T_c). The d?/dT vs. T curves in the neibhorhood of T_c are similar to the corresponding plot for pure Fe. Our studies confirm the previously observed anomalous effect of V on T_c of Fe, i.e., that T_c increase with small additions of V to Fe. The critical index λ⁺ associated with the power law of d?/dT just above T_c has been determined as a function of V concentration.     

Temperature dependence of the gap in the density of states near the Fermi level in a hole doped manganite

In this paper, we report a model-based quantitative analysis of temperature dependent scanning tunneling spectroscopy (STS) data taken on epitaxial thin films of the hole doped manganite La_0.7Ca_0.3MnO₃. The film, grown on lattice matched NdGaO₃ substrate, has a ferromagnetic transition temperature T_c=268 K. The analysis allows us to evaluate how the tunneling curve evolves across the transition temperature. We find that there is a gap Δ in the density of states (DOS), which peaks at T≈T_c. The gap closes in the ferromagnetic state following the evolution of the magnetization. The gap closing is gradual and not sudden at T=T_c. Above T_c the gap reduces from the peak value and reaches a limiting value of ≈75 meV for T/T_c≥1.1 which is close to the value of 60 meV seen from transport experiments.     

First-principles study of electronic structure of transition metal nitride: ReN under normal and high pressure

First-principles calculation was performed using tight-binding LMTO method with local density approximation (LDA) and atomic sphere approximation (ASA) to understand the electronic properties of rhenium nitride. The equilibrium geometries, the electronic band structure, the total and partial DOS are obtained under various pressures and are analyzed in comparison with the available experimental data. The most stable structure of ReN is NiAs like structure. Our results indicate that ReN can be used as a super-hard conductor. We estimated the average electron-phonon coupling constant to be 1.65 and superconducting transition temperature (T_c) is 5.1 K. The T_c value increases with the increase in pressure.     

Some parameters of superconductors with an extreme singularity in the density of state: (s+d) model

We study some parameters of superconductors with δ-function type singularities in the electronic density of states (DOS), exhibiting (s+d)-wave symmetry of the order parameter. Starting with a pure s-wave pairing potential V_s, the critical temperature T_c at first slightly increases with increasing the d-wave interaction potential V_d, being determined by this interaction only for stronger V_d values. The ratio R=2|Δ(0)|/k_BT_c of the mean value of the zero temperature energy gap |Δ(0)| to T_c increases with increasing V_d, reaching a maximum which depends on the mixing interaction term. The maximum values of R are comparable with very high values obtained in some gap measurements. The jump in the specific heat at critical temperature is by a factor 2.4 higher for the extreme singularity of pure s-wave symmetry, as compared with the BCS theory with constant DOS. Such higher values of the jump are in agreement with the experimentally observed values, as well as with the calculations determined by extended saddle points in the electronic bands. By switching the d-wave channel, the value of the jump decreases. The results show the usefulness of calculations with δ-type singularities as a limiting case of very strong singularities in the DOS.     

Hydrogen absorption and its effect on the magnetic properties of rare-earth iron intermetallics

X-ray diffraction studies of the hydrogen absorption in several YFe and CeFe intermetallic compounds showed that no structural changes occur upon hydrogen absorption in Y₆Fe₂₃, YFe₃, YFe₂. The lattice constants of the hydrides were found to be appreciably larger than those of the pure intermetallic compounds. The magnetic properties of the hydrides were determined and compared with the original compounds. In all cases the magnetic moment per Fe atom proved to be much larger in the hydride phases. Hydrogen absorption can lead to a decrease as well as to an increase of the magnetic ordering temperature (T_c). These changes in T_c could adequately be explained in terms of the observed increases in lattice constant and the data available for the pressure derivative of T_c of these compounds.     

Low-frequency electrical resistance of iron,cobalt, and nickel in the vicinity of their Curie temperatures

Alternating-current electrical resistance measurements between 17 Hz and 100 kHz were made on high purity Fe, Co, and Ni wires in the vicinity of their Curie temperatures (T _c). The electrical resistance was independent of frequency for temperatures (T) aboveT _c. As the temperature was lowered, however, there was an abrupt jump in the electrical resistance atT _c followed by a gradual decrease toward its dc value. The magnitude of the electrical resistance jump atT _c increased as the square root of the frequency. The enhancement of the electrical resistance forT≦T _c is produced by an abrupt decrease of the skin depth atT _c which, in turn, is due to the sudden increase in the initial magnetic permeability atT _c. Measurements of the ac electrical resistance in the vicinity of the Curie temperature of certain ferromagnetic metals can be utilized to 1) accurately determine the Curie temperature using frequencies as low as 17 Hz, and 2) quantitatively determine the initial magnetic permeability as a function of temperature and heat treatment.     

Temperature dependence of the short-range order parameter and the concentration dependence of the order-disorder temperature for NiPt and NiFe systems in the improved statistical pseudopotential approximation

The calculations for the temperature dependence of the first shell short- range order (SRO) parameter for Ni₃Fe using the cubic approximation of Tahir Kheli, and the concentration dependence of order-disorder temperature T_c for NiFe and NiPt systems using the linear approximation, have been carried out in the framework of pseudopotential theory. It is shown that the cubic approximation yields a good agreement between the theoretical prediction of the α₁ and the experimental data. Results for the concentration dependence of the T_c show that improvements in the statistical pseudopotential approach are essential to achieve a good agreement with experiment.     

57Fe Mössbauer study of Lu2Fe3Si5 iron silicide superconductor

With the advent of Fe–As based superconductivity it has become important to study how superconductivity manifests itself in details of ⁵⁷Fe Mössbauer spectroscopy of conventional, Fe-bearing superconductors. To this end, the iron-based superconductor Lu₂Fe₃Si₅ has been studied by ⁵⁷Fe Mössbauer spectroscopy over the temperature range from 4.4 K to room temperature with particular attention to the region close to the superconducting transition temperature (T_c=6.1 K). Consistent with the two crystallographic sites for Fe in this structure, the observed spectra appear to have a pattern consisting of two doublets over the whole temperature range. The value of Debye temperature was estimated from temperature dependence of the isomer shift and the total spectral area and compared with the specific heat capacity data. Neither abnormal behavior of the hyperfine parameters at or near T_c, nor phonon softening were observed.     

Unconventional temperature dependence of the cuprate excitation spectrum

Key properties of the cuprates, such as the pseudogap observed above the criticaltemperature T_c, remain highlydebated. Given their importance, we recently proposed a novel mechanism based on theBose-like condensation of mutually interacting Cooper pairs [W. Sacks, A. Mauger, Y. Noat,Supercond. Sci. Technol. 28, 105014 (2015)]. In this work, we calculate thetemperature dependent DOS using this model for different doping levels from underdoped tooverdoped. In all situations, due to the presence of excited pairs, a pseudogap is foundabove T_c while the normal DOSis recovered at T^?, the pair formation temperature. Asimilar behavior is found as a function of magnetic field, crossing a vortex, where apseudogap exists in the vortex core. We show that the precise DOS shape depends oncombined pair (boson) and quasiparticle (fermion) excitations, allowing for a deeperunderstanding of the SC to the PG transition.     

Calculation of short range magnetic order in iron

A spin fluctuation theory for itinerant electrons that includes short-range magnetic order (SRMO) is used to calculate the Curie-temperature (T_c and the temperature dependence of the magnetization and the susceptibility of bulk Fe. When spin correlations are included the Curie-temperature is reduced by 9% to T_c = 2000 K. The calculated temperature-dependence of the magnetization and the magnetic susceptibility are in excellent agreement with experimental results.     

Temperature dependence of Debye-Waller factors at a cooperative high-spin (5T2) ⇌ low-spin (1A1) transition in dithiocyanatobis(2,2'-bipyridyl)iron(II)

Debye-Waller factors f were determined over the temperature range 4.2 to 298°K in Fe(bipy)₂(NCS)₂ from ⁵⁷Fe Mössbauer spectra (bipy = 2,2'-bipyridyl). Whereas magnetic data and other physical properties show an abrupt change at the temperature of a cooperative ⁵T₂ ? ¹A₁ transition, T_c = 214°K, a continuous change of -ln f is found. The significance of this result is discussed.     

Peculiarities of performance of the spin valve for the superconducting current

The spin valve effect for the superconducting current based on the superconductor/ferromagnet proximity effect has been studied for a CoO _x /Fe1/Cu/Fe2/Cu/Pb multilayer. The magnitude of the effect ΔT _c = T _c ^AP ? T _c ^P , where T _c ^P and T _c ^AP are the superconducting transition temperatures for the parallel (P) and antiparallel (AP) orientation of magnetizations, respectively, has been measured for different thicknesses of the Fe1 layer d _Fe1. The obtained dependence of the effect on d _Fe1 reveals that ΔT _c can be increased in comparison with the case of a half-infinite Fe1 layer considered by the previous theory. A maximum of the spin valve effect occurs at d _Fe1 ～ d _Fe2. At the optimal value of d _Fe1 almost full switching from the normal to the superconducting state when changing the mutual orientation of magnetizations of the iron layers Fe1 and Fe2 from P to AP is demonstrated.     

Spin freezing properties in LaNi5-xFex

We report magnetic and transport measurements in the metallic pseudobinary compound LaNi_5-xFe_x, which show a Fe spin freezing. The magnetic phase diagram in the x-T plane is derived in the range 0 ⩽ x 1.2, 20 K ⩽ T ⩽ 300 K. Above a critical Fe concentration x_c ≈ 0.3, the system undergoes a superparamagnetic to long range ferromagnetic ordering at a finite temperature T. At lower concentrations, no long range spin ordering is observed, which suggests that x is the percolation threshold. Instead, a transition to a phase characterized by strong irreversibilities is observed at temperature T_f(x). Very strong ferromagnetic coupling interactions between Fe atoms are observed at low concentrations (x < x_c), which contrast with small values of T observed for x ∼ x_c. The results, together with the nature of the spin freezing are discussed in relation to the 2d character of the magnetic lattice.     

Magnetic correlations in 3d ferromagnets above Tc

A review is presented of our current neutron scattering experiments on Fe and Ni above the Curie temperature. Our experimental results show that the picture of propagating spin waves above T_c, widely accepted since 1973, is incorrect. In addition, we will demonstrate that over wide ranges of ω, q and temperature, both Fe and Ni, as well as Pd₂MnSn, follow a simple paramagnetic scattering function of the spin diffusion type.     

Specific heat measurements in pure and in (Cu, Mn, Fe, Ni)-doped single-crystals of l-arginine phosphate monohydrate

The influence of highly diluted impurities (Cu, Mn, Fe, Ni) on the temperature (T) dependence of the specific heat (c_p) of l-arginine phosphate monohydrate (LAP) was investigated in the temperature range 1.8-300 K. The doped samples yielded values for c_p in excess to those obtained for a pure LAP sample. The melting temperatures (T_m≈420 K) obtained by differential scanning calorimetry for pure and doped LAP samples were found not to be significantly affected by the impurities. The T-dependence of c_p was fully accounted for by taking into consideration the Debye contribution, an Einstein term and a contribution due to both Frenkel and Schottky defects. The model fit all c_p versus T data using a single value for both the Debye (θ_D=160 K) and the Einstein (T_E=376.8 K) temperatures, and for the energy (ε_d=157.9 meV) required to create the defects.     

Probing the phase transition of methane with Mössbauer effect in 57Fe impurities

Mossbauer studies were performed in ⁵⁷Fe impurities (0.3% at.) in solid methane, in order to investigate the properties of the order-disorder phase transition taking place at T_c=20.4K. From the temperature dependence of the relative values of the recoil-free-fraction - f - it was found that near T_c a change occurs in the slope of f(T²) without discontinuity in the value of f. A consistent model is proposed by which immediately below T_c both phases, I and II coexist with a gradual evolution of the ordered state (II) on the account of the high temperature plastic state (I). The Debye temperature of phase II (θ_II = 101±7K) increases with respect to that of phase I (θ_I = 72±3K), indicating a hardening in the phonon spectrum and precluding the onset of rotational modes of the disordered molecules.     

Electronic structure of new multiple band Pt-pnictide superconductors APt3P

We report LDA calculated band structure, densities of states and Fermi surfaces for recently discovered Pt-pnictide superconductors APt₃P (A = Ca, Sr, La), confirming their multiple band nature. Electronic structure is essentially three dimensional, in contrast to Fe pnictides and chalcogenides. LDA calculated Sommerfeld coefficient agrees rather well with experimental data, leaving little space for very strong coupling super-conductivity, suggested by experimental data on specific heat of SrPt₃P. Elementary estimates show, that the values of critical temperature can be explained by rather weak or moderately strong coupling, while the decrease in superconducting transition temperature T _c from Sr to La compound can be explained by corresponding decrease in total density of states at the Fermi level N(E _F). The shape of the density of states near the Fermi level suggests that in SrPt₃P electron doping (such as replacement Sr by La) decreases N(E _F) and T _c , while hole doping (e.g., partial replacement of Sr with K, Rb or Cs, if possible) would increase N(E _F) and possibly T _c .     

Low-temperature x-ray diffraction studies of the crystallographic parameters and thermal expansion of (CH3)2NH2Al(SO4)2 · 6H2O crystals

The a, b, c, and β crystallographic parameters of the (CH₃)₂NH₂Al(SO₄)₂ · 6H₂O crystal (DMAAS) have been measured by x-ray diffraction in the 90–300-K temperature range. The thermal expansion coefficients along the principal crystallographic axes α_a, α_b, and α_c have been determined. It was shown that, as the temperature is increased, the parameter α decreases and b increases, whereas c decreases for T<T _c (where T _c is the transition temperature) and increases for T>T _c, so that one observes a minimum in the c=f(T) curve in the region of the phase transition (PT) temperature T _c ～ 152 K. The thermal expansion coefficients α_a, α_b, and α_c vary in a complicated manner with increasing temperature, more specifically, α_a and α_c assume negative values at low temperatures, and the α_a=f(T), α_b=f(T), and α_c=f(T) curves exhibit anomalies at the PT point. The crystal has been found to be substantially anisotropic in thermal expansion.     

Anion height dependence of <Emphasis Type="Italic">T</Emphasis><Subscript><Emphasis Type="Italic">c</Emphasis></Subscript> and the density of states in iron-based superconductors

Systematic ab initio LDA calculations were performed for all the typical representatives of recently discovered class of iron-based high-temperature superconductors: REOFe(As,P) (RE = La, Ce, Nd, Sm, Tb), Ba₂Fe₂As, (Sr,Ca)FFeAs, Sr₄Sc₂O₆Fe₂P₂, LiFeAs and Fe(Se,Te). Non-monotonic behavior of total density of states at the Fermi level is observed as a function of anion height relative to Fe layer with maximum at about Δz _a ～ 1.37 Å, attributed to changing Fe-As (P, Se, Te) hybridization. This leads to a similar dependence of superconducting transition temperature T _c as observed in the experiments. The fit of this dependence to elementary BCS theory produces semiquantitative agreement with experimental data for T _c for the whole class of iron-based superconductors. The similar fit to Allen-Dynes formula underestimates T _c in the vicinity of the maximum, signifying the possible importance of non-phonon pairing in this region. These results unambiguously demonstrate that the main effect of T _c variation between different types of iron-based superconductors is due to the corresponding variation of the density of states at the Fermi level.