Superconductivity in compressed potassium and rubidium

Calculations of the electron-phonon interaction in the alkali metals, potassium and rubidium, using the results of band theory and BCS theory-based techniques suggest that at high pressures K and Rb would be superconductors with transition temperatures approaching 10 K.     

Common Features in Electronic Structure of the Oxypnictide Superconductors from Photoemission Spectroscopy

High resolution photoemission measurements are carried out on non-superconducting LaFeAsO parent com- pound and various superconducting RFeAs（O1-ZFx） （R=La, Ce and Pr） compounds. It is found that the parent LaFeAsO compound shows a metallic character. By extensive measurements, several common features are identified in the electronic structure of these Fe-based compounds： （1） 0.2 eV feature in the valence band, （2） a universal 13-16 meV feature, （3） near EF spectral weight suppression with decreasing temperature. These uni- versal features can provide important information about band structure, superconducting gap and pseudogap in these Fe-based materials.     

Multiple Nodeless Superconducting Gaps in (Ba0.6K0.4)Fe2As2 Superconductor from Angle-Resolved Photoemission Spectroscopy

High resolution angle-resolved photoemission measurements have been carried out to study the superconducting gap in the (Ba_0.6K_0.4)Fe₂As₂ superconductor with T_c=35 K. Two hole-like Fermi surface sheets around the Γ point exhibit different superconducting gaps. The inner Fermi surface sheet shows larger (10~12 meV) and slightly momentum-dependent gap while the outer one has smaller (7~8meV) and nearly isotropic gap. The lack of gap node in both Fermi surface sheets favours s-wave superconducting gap symmetry. Superconducting gap opening is also observed at the M(π,π) point. The two Fermi surface spots near the M point are gapped below T_c but the gap persists above T_c. The rich and detailed superconducting gap information will provide key insights and constraints in understanding pairing mechanism in the iron-based superconductors.     

Pseudogap and Superconducting Gap in SmFeAs（O1-xFx） Superconductor from Photoemission Spectroscopy

High resolution photoemission measurements are carried out on non-superconducting SmOFeAs paxent compound and superconducting SmFeAs（O1-xFx） （x = 0.12, and 0.15） compounds. The momentum-integrated spectra exhibit a clear Fermi cutoff that shows little leading-edge shift in the superconducting state. A robust feature at 13 meV is identified in all these samples. Spectral weight suppression near IF, F with decreasing temperature is observed in both undoped and doped samples that points to a possible existence of a pseudogap in these Fe-based compounds.     

Mn and Fe impurities in MgB2

Based on first principles calculations, we show that Mn impurities are magnetic in MgB₂ due to exchange-splitting of band. Thus, Mn impurities could act as strong magnetic scattering centres leading to pair-breaking effects in MgB₂. In contrast, we find Fe impurities in MgB₂ to be nearly non-magnetic.     

The first-principles studying LaOMnSe: A possible parent compound of superconductor

By the first-principles calculations, we studied the structure, electronic and magnetic properties of LaOMnSe. The band structure and Fermi surface of LaOMnSe are very similar to those of LaOFeAs, where there are three hole-like Fermi surfaces around Γ-point and two electron-like Fermi surfaces around M-point. The hole-like Fermi surfaces will strongly overlap with electron-like Fermi surfaces if they are shifted by the q vector (π,π,0). Such Fermi surfaces nesting will induce magnetic instability and spin density wave (SDW), which is similar to LaOFeAs. Because of so much similarity to LaOFeAs, LaOMnSe is expected to become superconductor with electron or hole doping.     

First-principles investigation of pressure-induced changes in structural and electronic properties of Y 2C3 superconductor

The structural and electronic properties of Y ₂C₃ superconductor under different external pressures were calculated by employing the first-principles method. This shows that the lattice constants as well as the lengths of C-C dimers decrease with the pressure. Results of band structure calculations indicate that the Fermi level advances to the bonding zone with an increase in pressure; meantime, the valence and conduction bands intersect more deeply with the Fermi level. Moreover, the Fermi level is found to shift from the valley bottom of the density of states (DOS) curve to the shoulder, which means an increase in N(E_F), and therefore the critical temperature, T_c. The calculations verify that the critical temperature is directly related to the electronic structure.     

Enhancement of the upper critical field of MgB2 by carbon-doping

We have measured the temperature dependence of the upper critical field, H_c2(T), of carbon-doped MgB₂. H_c2(T) does not follow the well-known Werthamer-Helfand-Hohenberg (WHH) result for a one-gap dirty superconductor but can be described well by the result of a recent theoretical calculation for a two-gap dirty superconductor. H_c2(0) of the carbon-doped material is determined to be between 29 and 38 T, substantially higher than that of pure MgB₂ (15-23 T).     

AuB2 in comparison to superconducting MgB2-an ab initio study

The noble metal diboride AuB₂, a potential candidate for superconductor, is studied by an ab initio method in comparison to the superconducting MgB₂. The results, described in terms of equilibrium lattice constants, bulk modulus, pressure derivative of bulk modulus and their in- and out-of-plane linear values, volume coefficient of T_c, density of states, band structure, show some similarity as well as dissimilarity between the behaviour of the two compounds. The implications for the behaviour are discussed.     

Magnetic properties of R2Fe17−xGax (R=Y and Gd) compounds

The magnetic properties of Y₂Fe_17−xGa_x for 3≤x≤7 and Gd₂Fe_17−xGa_x for 5≤x≤7 have been investigated using ⁵⁷Fe Mössbauer spectroscopy. These compounds have the rhombohedral Th₂Zn₁₇ structure. X-ray diffraction analysis of aligned powders shows that the easy direction of magnetization is parallel to the c-axis in Y₂Fe₁₀Ga₇ and Gd₂Fe₁₀Ga₇ and is perpendicular to the c-axis in Y₂Fe₁₄Ga₃, Y₂Fe₁₂Ga₅, Gd₂Fe₁₂Ga₅ and Gd₂Fe₁₁Ga₆. Mössbauer studies indicate that those samples are ordered ferromagnetically. The ⁵⁷Fe hyperfine field decreases with increasing Ga content. This decrease results from the decreased magnetic exchange interactions resulting from Ga substitution. The average isomer shift, δ, for R₂Fe_17−xGa_x (R=Y and Gd) at room temperature is positive and the magnitude of δ increases with increasing Ga content.     

Effect of C and SiC additions into in situ or mechanically alloyed MgB2 deformed in Ti sheath

Effect of 3.4 wt.% C and 5 wt.% SiC doping into the standard in situ (IN) process and mechanically alloyed (MA) MgB₂ was studied. Powders of IN and MA process were carried out in air and in argon filled glove box, respectively. Wire samples were prepared by two-axial rolling deformation of IN and MA powders inside the Ti tube. Titanium as sheath material allows to use higher sintering temperatures, we used 700 °C and 800 °C for 30 min in Argon. Critical current densities (J_c) were measured at variable temperatures 4.2 K, 10 K, 15 K and 20 K in the external magnetic fields ranging to 15 T. Critical temperatures, upper critical fields and irreversibility fields of IN and MA with SiC and C additions are compared and discussed. The highest transport properties were observed for wires with MA SiC doped MgB₂ in the whole scale of temperatures 4.2–20 K. Upper critical field was rapidly enhanced in the case of carbon doped MA samples at 4.2 K. MA samples have shown decreased J_c values for higher temperatures (15 K, 20 K), in some case even worse than for the not doped reference IN sample. Carbon substitution and grain connectivity of analyzed samples are compared and discussed. Presented results show that for 20 K applications some new ways (additions) have to be found for increasing the J_c substantially.     

First-principles study on the electronic structure and magnetic properties of metallic antiferromagnet C7H3S2N2

First-principles full potential linearized augmented plane wave (FPLAPW) calculations have been performed to study the electronic structure and the magnetic properties of 3-Cyanobenzo-1,3,2-dithiazolyl,C₇H₃S₂N₂. The density of states (DOS), the total energy of the cell, and the spontaneous magnetic moment of C₇H₃S₂N₂ were all calculated. The calculations reveal that the low-temperature phase of the compound C₇H₃S₂N₂ has a stable metal-antiferromagnetic ground state, and there exists an antiferromagnetically coupled interactions between the dithiazolyl radical(1), which is in good agreement with experiment.     

Angular dependence of vortex matter phase transition in MgB2 single crystal

The vortex matter phase transitions and intrinsic pinning effect were investigated in an MgB₂ single crystal using the torque magnetometry. For the field directions apart from the ab plane, we succeed in the observation of the vortex lattice melting transitions, which are transformed from the order-disorder transitions at low temperatures. Both transition fields with field directions can be describe by the GL effective mass model. For the field direction along the ab plane, these transitions become unobservable. Instead, the sudden increase in the hysteresis of magnetization curve occurs, indicating the existence of the intrinsic pinning coming from the layer structure.     

Superconductivity in the intermetallic compound YRhAl

The intermetallic compound, YRhAl, has been prepared and is found to be isomorphic with RRhAl (R=Pr, Nd, Gd, Ho and Tm) compounds crystallizing in the orthorhombic TiNiSi-type structure (space group Pnma). Heat capacity and electrical resistivity measurements in the He-3 temperature range reveal that this compound is superconducting with a transition temperature, T_c, of 0.9 K. The electronic specific heat coefficient, γ, and the Debye temperature are found to be 6.1 mJ/mol K and 197 K, respectively. The specific heat jump at the superconducting transition is found to be consistent with the BCS weak-coupling limit. This combined with the earlier observation of superconductivity in LaRhAl (T_c=2.4 K) having a different structure than that of YRhAl, suggests that the underlying structure is not very crucial for the occurrence of superconductivity in RRhAl series of compounds.     

Electron Orbital Magnetic Moments in the Armchair Carbon Nanotubes

Based on the density functional theory, we calculate the band structure of an armchair carbon nanotube in an axial magnetic field. The result shows that there are two kinds of magnetic moments with different symmetries. One is the Aharonov--Bohm-type magnetic moment which can be easily understood with classical picture, the other belonging to the valence, and conduction sub-bands should be explained by quantum mechanics. We use an effective mass model to analyse the magnetic moments and by comparing with the result of first-principle calculation, we conclude that the effective mass model is reasonable to estimate the change of the band gap in magnetic fields.     

Magnetization scaling in the ruthenate-cuprate RuSr2Eu1.4Ce 0.6Cu2O10-δ (Ru-1222)

The magnetic properties of the superconducting ruthenate-cuprate RuSr₂Eu _1.4Ce_0.6Cu₂O_10-δ (Ru-1222) have been studied by a scaling analysis of the dc magnetization and ac susceptibility measurements. Non-linear M(H) curves reveal the presence of nano-size clusters with a net magnetic moment of ∼10² μ_B at 180 K, near the deviation from a Curie-Weiss behavior. On cooling, no scaling was observed down to 90 K, discarding the possibility of magnetic phase separation of collinear ferromagnetic particles. We explain this result in terms of a variable number of contributing particles, with a temperature dependent net magnetic moment. For 70 K ≤T≤ 90 K the scaling plots evidence the emergence of a system of non-interacting particles, which couple on further cooling. The observed cluster-glass features are preserved down to the lowest measured temperature (10 K); no signature of long-range order was detected. The frequency shift of the peak in the real part of the ac susceptibility does not follow the Vogel-Fulcher type dependence, as previously reported. The puzzling temperature dependence of the coercive field, H_C(T), is correlated with the changes in the scaling factors.