Giant anharmonicity and nonlinear electron-phonon coupling in MgB2: a combined first-principles calculation and neutron scattering study.

First-principles calculations of the electronic band structure and lattice dynamics for the new superconductor MgB (2) are carried out and found to be in excellent agreement with our inelastic neutron scattering measurements. The numerical results reveal that the E(2g) in-plane boron phonons near the zone center are very anharmonic and strongly coupled to the planar B sigma bands near the Fermi level. This giant anharmonicity and nonlinear electron-phonon coupling is key to quantitatively explaining the observed high T(c) and boron isotope effect in MgB (2).

High critical current density and enhanced irreversibility field in superconducting MgB2 thin films.

The discovery of superconductivity at 39 K in magnesium diboride offers the possibility of a new class of low-cost, high-performance superconducting materials for magnets and electronic applications. This compound has twice the transition temperature of Nb3Sn and four times that of Nb-Ti alloy, and the vital prerequisite of strongly linked current flow has already been demonstrated. One possible drawback, however, is that the magnetic field at which superconductivity is destroyed is modest. Furthermore, the field which limits the range of practical applications-the irreversibility field H*(T)-is approximately 7 T at liquid helium temperature (4.2 K), significantly lower than about 10 T for Nb-Ti (ref. 6) and approximately 20 T for Nb3Sn (ref. 7). Here we show that MgB2 thin films that are alloyed with oxygen can exhibit a much steeper temperature dependence of H*(T) than is observed in bulk materials, yielding an H* value at 4.2 K greater than 14 T. In addition, very high critical current densities at 4.2 K are achieved: 1 MA cm-2 at 1 T and 105 A cm-2 at 10 T. These results demonstrate that MgB2 has potential for high-field superconducting applications.

Superconductivity in the non-oxide perovskite MgCNi3.

The interplay of magnetic interactions, the dimensionality of the crystal structure and electronic correlations in producing superconductivity is one of the dominant themes in the study of the electronic properties of complex materials. Although magnetic interactions and two-dimensional structures were long thought to be detrimental to the formation of a superconducting state, they are actually common features of both the high transition-temperature (Tc) copper oxides and low-Tc material Sr2RuO4, where they appear to be essential contributors to the exotic electronic states of these materials. Here we report that the perovskite-structured compound MgCNi3 is superconducting with a critical temperature of 8 K. This material is the three-dimensional analogue of the LnNi2B2C family of superconductors, which have critical temperatures up to 16 K (ref. 2). The itinerant electrons in both families of materials arise from the partial filling of the nickel d-states, which generally leads to ferromagnetism as is the case in metallic Ni. The high relative proportion of Ni in MgCNi3 suggests that magnetic interactions are important, and the lower Tc of this three-dimensional compound-when compared to the LnNi2B2C family-contrasts with conventional ideas regarding the origins of superconductivity.

Pressure dependence of the superconducting transition temperature of magnesium diboride.

We studied the pressure and temperature dependence of the electrical resistivity of the superconducting compound magnesium diboride (MgB(2)). The superconducting transition temperature decreases monotonically with pressure, being parabolic or linear, depending on samples. The rate of decrease under pressure is higher than in conventional superconductors. We discuss our results in terms of the semimetallic character of the electronic band structure of MgB(2).

Loss of superconductivity with the addition of Al to MgB2 and a structural transition in Mg1-x AlxB2.

The basic magnetic and electronic properties of most binary compounds have been well known for decades. The recent discovery of superconductivity at 39 K in the simple binary ceramic compound magnesium diboride, MgB2, was therefore surprising. Indeed, this material has been known and structurally characterized since the mid 1950s (ref. 2), and is readily available from chemical suppliers (it is commonly used as a starting material for chemical metathesis reactions). Here we show that the addition of electrons to MgB2, through partial substitution of Al for Mg, results in the loss of superconductivity. Associated with the Al substitution is a subtle but distinct structural transition, reflected in the partial collapse of the spacing between boron layers near an Al content of 10 per cent. This indicates that superconducting MgB2 is poised very near a structural instability at slightly higher electron concentrations.

Strongly linked current flow in polycrystalline forms of the superconductor MgB2.

The discovery of superconductivity at 39 K in magnesium diboride, MgB2, raises many issues, a critical one being whether this material resembles a high-temperature copper oxide superconductor or a low-temperature metallic superconductor in terms of its behaviour in strong magnetic fields. Although the copper oxides exhibit very high transition temperatures, their in-field performance is compromized by their large anisotropy, the result of which is to restrict high bulk current densities to a region much less than the full magnetic-field-temperature (H-T) space over which superconductivity is found. Moreover, the weak coupling across grain boundaries makes transport current densities in untextured polycrystalline samples low and strongly sensitive to magnetic field. Here we report that, despite the multiphase, untextured, microscale, subdivided nature of our MgB2 samples, supercurrents flow throughout the material without exhibiting strong sensitivity to weak magnetic fields. Our combined magnetization, magneto-optical, microscopy and X-ray investigations show that the supercurrent density is mostly determined by flux pinning, rather than by the grain boundary connectivity. Our results therefore suggest that this new superconductor class is not compromized by weak-link problems, a conclusion of significance for practical applications if higher temperature analogues of this compound can be discovered.

Mechanism of formation and quantitation of imines, pyrroles, and stable nonpyrrole adducts in 2,5-hexanedione-treated protein.

The condensation of gamma-diketones with protein epsilon-amino moieties to yield alkylpyrrole adducts has been demonstrated in many in vitro and in vivo systems, although certain features of this reaction remain unclear. The present in vitro study was designed to examine additional aspects of gamma-diketone-protein interactions, including the possible formation of imine intermediates and stable nonpyrrole products, and the potential for conformational changes in pyrrolylated protein. Values for total, stable covalent binding were consistently higher than p-dimethylaminobenzaldehyde (DMAB)-detectable pyrrole adduct concentrations when bovine serum albumin (BSA) was incubated (24 hr, 37 degrees C) with [14C]-2,5-hexanedione (2,5-HD) at diketone:lysine ratios greater than or equal to 5:1 (at pH 9.5) or 1:1 (at pH 7.4). Treatment of pyrrolylated BSA with proteases before the DMAB assay decreased but did not eliminate the difference between these parameters. Quantitative amino acid analysis of pyrrolylated BSA revealed molar decreases in lysine content equivalent to DMAB-detectable pyrrole adduct concentrations; no other amino acids were significantly altered. Cleavage of disulfide bonds in pyrrolylated BSA by dithiothreitol resulted in an apparent decrease in DMAB-detectable pyrrole, which was reversible upon subsequent protease treatment. A similar decrease was not seen with pyrrolylated concanavalin A, a protein that lacks disulfide linkages. Samples of BSA were incubated with [14C]-2,5-hexanedione for 2-144 hr and a portion of each incubation mixture treated with NaCNBH3 to selectively reduce imines to stable amines. Substantial levels of an imine intermediate were detected at 2, 6, and 24 hr but not at 144 hr. The above findings support proposed mechanisms involving imine intermediates in the pyrrolylation reaction. In addition, evidence for the formation of stable nonpyrrole adducts at high diketone:amine molar ratios has been provided. Results consistent with potential conformational alterations in pyrrolylated protein have also been demonstrated.