Comparative experimental and Density Functional Theory (DFT) study of the physical properties of MgB2 and AlB2

In present study, we report an inter-comparison of various physical and electronic properties of MgB2 and AlB2. Interestingly, the sign of S(T) is +ve for MgB2 the same is -ve for AlB2. This is consistent our band structure plots. We fitted the experimental specific heat of MgB2 to Debye Einstein model and estimated the value of Debye temperature (theta) and Sommerfeld constant (gamma) for electronic specific heat. Further, from gamma the electronic density of states (DOS) at Fermi level N(EF) is calculated. From the ratio of experimental N (EF) and the one being calculated from DFT, we obtained value of Lembda to be 1.84, thus placing MgB2 in the strong coupling BCS category. The electronic specific heat of MgB2 is also fitted below Tc using pi-model and found that it is a two gap superconductor. The calculated values of two gaps are in good agreement with earlier reports. Our results clearly demonstrate that the superconductivity of MgB2 is due to very large phonon contribution from its stretched lattice. The same two effects are obviously missing in AlB2 and hence it is not superconducting. DFT calculations demonstrated that for MgB2 the majority of states come from Sigma and Pi 2p states of boron on the other hand Sigma band at Fermi level for AlB2 is absent. This leads to a weak electron phonon coupling and also to hole deficiency as Pi bands are known to be of electron type and hence obviously the AlB2 is not superconducting. The DFT calculations are consistent with the measured physical properties of the studied borides, i.e., MgB2 and AlB2Comment: 16 pages Text + Figs: comments/suggestions welcome ([email protected])/www.freewebs.com/vpsawana

Synthesis of SmFeAsO by an Easy and Versatile Route and its Physical Property Characterization

We report synthesis, structure, electrical transport and heat capacity of SmFeAsO. The title compound is synthesized by one-step encapsulation of stoichiometric FeAs, Sm, and Sm2O3 in an evacuated (10-5 Torr) quartz tube by prolong (72 hours) annealing at 1100oC. The as synthesized compound is crystallized in tetragonal structure with P4/nmm space group having lattice parameters a = 3.93726(33) A and c = 8.49802(07) A. The resistance (R-T) measurements on the compound exhibited ground state spin-density-wave (SDW)-like metallic steps below 140 K. Heat capacity CP(T) measurements on the title compound, showed an anomaly at around 140 K, which is reminiscent of the SDW ordering of the compound. At lower temperatures the CP(T) shows a clear peak at around 4.5 K. At lower temperature below 20 K, Cp(T) is also measured under an applied field of 7 Tesla. It is concluded that the CP(T) peak at 4.5 K is due to the anti-ferromagnetic(AFM) ordering of Sm3+ spins. These results are in confirmation with ordering of Sm in Sm2-xCexCuO4.Comment: 9 pages Text + Figs Contact Author ([email protected]

High Field Performance of Nano-Diamond Doped MgB2 Superconductor

Polycrystalline MgB2-nDx (x= 0 to 0.1) samples are synthesized by solid-state route with ingredients of Mg, B and n-Diamond. The results from magneto-transport and magnetization of nano-diamond doped MgB2-nDx are reported. Superconducting transition temperature (Tc) is not affected significantly by x up to x = 0.05 and latter decreases slightly for higher x > 0.05. R(T) vs H measurements show higher Tc values under same applied magnetic fields for the nano-diamond added samples, resulting in higher estimated Hc2 values. From the magnetization measurements it was found that irreversibility field value Hirr for the pristine sample is 7.5 Tesla at 4 K and the same is increased to 13.5 Tesla for 3-wt% nD added sample at the same temperature. The Jc(H) plots at all temperatures show that Jc value is lowest at all applied fields for pristine MgB2 and the sample doped with 3-wt% nD gives the best Jc values at all fields. For the pure sample the value of Jc is of the order of 105 A/cm2 at lower fields but it decreases very fast as the magnetic field is applied and becomes negligible above 7 Tesla. The Jc is 40 times higher than pure MgB2 at 10 K at 6 Tesla field in case of 3%nD doped sample and its value is still of the order of 103 A/cm2 at 10 Tesla for the same sample. On the other hand at 20K the 5%nD sample shows the best performance at higher fields. These results are discussed in terms of extrinsic pinning due to dispersed n-Diamond in the host MgB2 matrix along with the intrinsic pinning due to possible substitution of C at Boron site and increased inter-band scattering for highly doped samples resulting in extraordinary performance of the doped system.Comment: 12 PAGES (TEXT+FIGS). ACCEPTED: J. APPL.PHYS. (MMM-2007 Proceedings

Physical property characterization of Fe-tube encapsulated and vacuum annealed bulk MgB2

We report phase formation, and detailed study of magnetization and resistivity under magnetic field of MgB2 polycrystalline bulk samples prepared by Fe-tube encapsulated and vacuum (10-5 torr) annealed (750 0C) route. Zero-field-cooled magnetic susceptibility (cZFC) measurements exhibited sharp transition to superconducting state with a sizeable diamagnetic signal at 39 K (Tc). The measured magnetization loops of the samples, despite the presence of flux jumps, exhibited a stable current density (Jc) of around 2.4 x 105 A/cm2 in up to 2 T (Tesla) field and at temperatures (T) up to 10 K. The upper critical field is estimated from resistivity measurements in various fields and shows a typical value of 8 T at 21 K. Further, cFC measurements at an applied field of 0.1 T reveal paramagnetic Meissner effect (PME) that is briefly discussed.Comment: 13 pages text + figs. accepted: solid state commun. (2006

Superconductivity in SmFe1−xCoxAsO (x = 0.0–0.30)

We report synthesis, structural details, and magnetization of SmFe1−xCoxAsO with x ranging from 0.0 to 0.30. It is found that Co substitutes fully at Fe site in SmFeAsO in an isostructural lattice with slightly compressed cell. The parent compound exhibited known as the spin density wave (SDW) character is below at around 140 K. Successive doping of Co at Fe site suppressed the SDW transition for x = 0.05 and later induced superconductivity for x = 0.10, 0.15, and 0.20, respectively, at 14, 15.5, and 9 K. The lower critical field as seen from magnetization measurements is below 200 Oe. The appearance of bulk superconductivity is established by wide open isothermal magnetization M(H) loops. Superconductivity is not observed for higher content of Co, i.e., x ≥ 0.30. Clearly the Co substitution at Fe site in SmFe1−xCoxAsO diminishes the Fe SDW character, introduces bulk superconductivity for x between 0.10 and 0.20 and finally becomes nonsuperconducting for x above 0.20. The Fe2+ site Co3+ substitution injects mobile electrons to the system and superconductivity appears; however direct substitution introduces simultaneous disorder in superconducting FeAs layer and thus superconductivity disappears for higher content of Co

Superconductivity in SmFe1-xCoxAsO (x = 0.0 to 0.30)

We report synthesis, structural details and magnetization of SmFe1-xCoxAsO with x ranging from 0.0 to 0.30. It is found that Co substitutes fully at Fe site in SmFeAsO in an iso-structural lattice with slightly compressed cell. The parent compound exhibited known spin density wave (SDW) character below at around 140 K. Successive doping of Co at Fe site suppressed the SDW transition for x = 0.05 and later induced superconductivity for x = 0.10, 0.15 and 0.20 respectively at 14, 15.5 and 9K. The lower critical field as seen from magnetization measurements is below 200Oe. The appearance of bulk superconductivity is established by wide open isothermal magnetization M(H) loops. Superconductivity is not observed for higher content of Co i.e. x = 0.30. Clearly the Co substitution at Fe site in SmFe1-xCoxAsO diminishes the Fe SDW character, introduces bulk superconductivity for x between 0.10 and 0.20 and finally becomes non-superconducting for x above 0.20. The Fe2+ site Co3+ substitution injects mobile electrons to the system and superconductivity appears, however direct substitution introduces simultaneous disorder in superconducting FeAs layer and thus superconductivity disappears for higher content of Co.Comment: 14 Pages Text + Figs comments ([email protected]