Heat Capacity Under Pressure of CeCoIn 5

Among heavy-fermion (HF) superconductors, CeCoIn 5 exhibits a record high value of T c =2.3 K at ambient pressure [1]. CeCoIn 5 belongs to a new class of HF-superconductors that crystallize in the tetragonal HoCoGa 5 -structure. This structure can be regarded as alternating layers of CeIn 3 and CoIn 2 . Bulk CeIn 3 undergoes a transition from an antiferromagnetic (AFM) state at ambient pressure ( T N =10.2 K) to a superconducting state with very low T C =0.15 K at a critical pressure p c =2.8 GPa [2] at which long range magnetic order vanishes. It is, therefore, regarded as a possible candidate for magnetically mediated superconductivity (SC). We report on measurements of the heat capacity of CeCoIn 5 at hydrostatic pressures p h 1.5 GPa. While T c increases with increasing pressure, the effective mass of the quasi-particles m eff decreases, as indicated by the ratio C / T | T c . As a working hypothesis based on theories of a nearly antiferromagnetic Fermi-liquid (NAFFL), this may be interpreted as the stabilization of the superconducting state by an increase of the characteristic spin fluctuation temperature T_{SF} (T_{SF}\propto k_F^2/m_{\rm eff}).     

The Quantum Critical Point Revisited in CeIn 3

We report transport and calorimetric measurements at high pressure on CeIn 3 crystals grown from a flux of excess indium. This technique allows the growth of large crystals which are suitable for techniques which require large sample volumes. Measurements were carried out in a Bridgman cell which allowed pressures of up to 100 kbars to be reached. The results obtained for the antiferromagnetic and superconducting phase diagram are very similar to previous results obtained on small crystals and in hydrostatic cells. We also find a well defined Quantum Critical Point and Non Fermi-Liquid behaviour of the normal state resistivity. We report the first measurements of the upper critical field and of the specific heat at high pressure on this compound.     

New aspects on URu2Si2 and CeTIn5 (T=Rh, Ir, Co) observed by high pressure NMR and NQR

NMR and NQR studies on two interesting systems (URu₂Si₂, CeTIn₅) were performed under high pressure. (1) URu₂Si₂: In the pressure range 3.0 to 8.3 kbar, we have observed new ²⁹Si NMR signals arising from the antiferromagnetic (AF) region besides the previously observed ²⁹Si NMR signals which come from the paramagnetic (PM) region in the sample. This gives definite evidence for spatially-inhomogeneous development of AF ordering below T ₀ of 17.5 K. The volume fraction is enhanced by applied pressure, whereas the value of internal field (∼91 mT) remains constant up to 8.3 kbar. In the AF region, the ordered moment is about one order of magnitude larger than 0.03 μB. (2) CeTIn₅: The pressure and temperature (T) dependences of nuclear spin-lattice relaxation rate 1/T ₁ of ¹¹⁵In in CeTIn₅ have shown that the superconductivity (SC) occurs close to an AF instability. From the T dependences of 1/T ₁ and Knight shift below T _c. CeTIn₅ has been found to exhibit non-s wave (probable d wave) SC with even parity and line nodes in the SC energy gap.     

The superconductivity of Sc5T4Si10 (T = Co,Rh, Ir) and isomorphous compounds

Superconductivity is reported for a new class of ternary compounds of general formula R₅T₄X₁₀ where R is Sc, Y or a rare earth, T a transition metal of the platinum or iron groups and X either Si or Ge. Critical temperatures up to 8.6 K are observed. The relationship with non-superconducting compounds of similar composition and structure is discussed.     

Relation between the Superconducting Transition Temperature and the Axial Ratio in R Ni 2 B 2 C ( R =Y,Ho, Er,Tm, Lu) Under High Pressure

The effect of pressure on the lattice parameters of R Ni 2 B 2 C ( R = Y, Ho, Er, Tm, Lu) has been measured in order to investigate the relation of T C to axial ratio c/a in the tetragonal lattice or the cohesive properties of these materials. The large anisotropies are observed in the lattice compression curves especially for R =Ho and Tm; the c -axis is more compressible than the a -axis. On the other hand, the anisotropy in the lattice compression is found to be relatively small for R =Y and Lu. The close relation between T C and c/a is pointed out particularly for R =Ho.     

Evolution of the spin-density wave-superconductivity texture in the organic superconductor (TMTSF)2PF6 under pressure

We report an investigation at the endpoint region of the spin density wave state in (TMTSF)₂PF₆ where metal and superconductivity emerge. Thanks to resistivity measurements along the three main crystallographic directions, we are able to follow the texture in this phase coexistence regime. In this respect, superconductivity is used as a decoration technique of the metallic pattern. We show that metal (superconductivity) emerges first along the c^? direction in a counterintuitive manner. Then metal (superconductivity) domains evolves from filaments along the c^? axis towards slabs perpendicular to the a-axis which melt together in the homogeneous phase at high pressure. This evolution is compatible with the proposition of the formation of a soliton phase in the vicinity of the critical pressure of the (TMTSF)₂PF₆ phase diagram.     

Structurally tuned superconductivity in heavy-fermion CeMIn5 (M=Co, Ir, Rh)

We discuss systematic trends in the high-temperature physical properties of the heavy Fermion superconductors (HFS) CeCoIn₅ (T_c=2.3 K, γ=300 mJ/molK²), CeIrIn₅ (T_c=0.4 K, γ=750 mJ/molK²), and CeRhIn₅ (P_c=16 kbar, T_c=2.1 K, γ=400 mJ/molK²) in terms of crystalline-electrical-field effects(CEF). We suggest the possibility that the interplay between the symmetry of the CEF ground-state (or low-T CEF scheme of levels) and the f–s hybridization could generate spin fluctuations relevant to the superconducting pairing mechanism in these materials. This hypothesis may provide insight into the fact that some crystal structures appear to favor superconductivity. Further, CeMIn₅ (M=Co, Ir, Rh) appear to be structural relatives of the cubic heavy Fermion superconductor CeIn₃, but with much higher T_c's. We argue that structural layering inherent in the tetragonal CeMIn₅ crystal structure determines the magnetic and electronic anisotropy responsible for the enhanced T_c's. We also describe similarities and differences between these compounds and the high-T_c cuprates.     

Theoretical study on the superfluid density of the superconducting MNCl (M=Hf, Zr)

We consider the possibility of spin fluctuation mediated d+id′‐wave pairing for the layered nitride superconductor MMCl. Using the superconducting gap obtained within the fluctuation exchange method for the two band model, we calculate the superfluid density as a function of temperature for several doping concentrations. Reflecting the fact that the anisotropy of the d+id′‐wave gap on the Fermi surface is enhanced with the increase of the doping concentration, the overall doping dependence of the superfluid density is in qualitative agreement with the experiment.     

Electronic structure and magnetism of NpTAl (T=Co, Ni, Rh, Ir and Pt) and NpNiGa from first-principles calculations

First-principles calculations based on density-functional theory were performed for the first time on NpTAl (T=Co, Ni, Rh, Ir and Pt) and NpNiGa. The electronic density of states and equilibrium volume were studied using relativistic full-potential APW plus local-orbitals calculations. The magnetocrystalline anisotropy energy was estimated from total-energy calculations and the a-axis was predicted to be the easy axis of magnetization with the exception of T=Rh. Finally, we employed the LSDA+U method to mimic the orbital polarization and to obtain the correct total magnetic moments in experimental equilibrium.     

Pressure dependence of electronic transitions of Fe,Co and Ni ions in layered dihalides

Abstract

The near infra-red absorption peaks due to transition metal ions in four halides of Fe, Co and Ni have been studied as a function of pressure. The behaviors of these ions' absorption peaks under pressure are found to be quite different. While the energy of the absorption peak in Col₂ increases with pressure similar to the behavior of transition metal ions in cubic crystal fields, the absorption peaks in the Fe halides are found to be almost independent of pressure. In Nil₂ two absorption peaks exhibit level-crossing at about 2GPa. The results have been interpreted in terms of a theory proposed by da Silva and Falicov [Phys. Rev. B 45,11511 (1992)] in which pressure changes the trigonal component of the crystal field at the transition metal ions.     

LEED intensity analysis of the (1 × 5) reconstruction of Ir(100)

A new LEED structural analysis is carried out for the (1 × 5) reconstruction of Ir(100). It is based on a recent set of experimental I–V curves obtained with a computer-controlled video camera. Special attention is paid to reproducibility and reliability, and an R?factor analysis is now included. The previously preferred structure (a buckled top layer that is quasi-hexagonally close-packed and involves bridge sites) is confirmed with minor positional adjustments comparable to the uncertainty of the method. The other structural models that have been examined can clearly be rejected.     

(Pressure,temperature) phase diagram of the quasi-1D 3/4 filled organic salt (o-DMTTF)2Br

The family of quasi-one-dimensional organic salts (o-DMTTF)₂X, (X=Cl, Br, I) exhibits regular stacks and a high symmetry (tetragonal) structure which provides a perfect 3/4 band filling system with strong electronic correlations. We report transport measurements, resistivity and thermopower, performed as a function of pressure and/or temperature on (o-DMTTF)₂Br which presents all the characteristics of the family. Coupled with data obtained from X-rays diffraction and magnetic susceptibility experiments at ambient pressure, in order to identify the insulating ground states, our data allowed to establish the (pressure, temperature) phase diagram for (o-DMTTF)₂Br which differs significantly from those previously reported in other 3/4 filled systems.     

Stability of Ferromagnetism in Fe, Co, and Ni Metals under High Pressure with GGA and GGA+U

The stability of the ferromagnetic state in Fe, Co, and Ni metals under high pressure is investigated using generalized gradient approximation (GGA) and GGA+U within the density functional theory (DFT). It is found that the ferromagnetic state under pressure is very different for Fe, Co, and Ni metals, and is closely associated with the crystal structure. In the case of Fe, a ferromagnetic bcc ground state is obtained at ambient pressure and a nonmagnetic hcp ground state is found at pressure around 12 and 115 GPa for GGA and GGA+U, respectively. For Co, the phase transition from a ferromagnetic hcp to a nonmagnetic fcc is found around 107 GPa for GGA. In contrast to Fe and Co, a ferromagnetic fcc state in Ni is maintained even at 200 GPa. The calculated results suggest that the suppression of ferromagnetism in Fe, Co, and Ni is due to pressure-induced decrease of the density of state at the Fermi level.     

氨基酸DLH及其稀土镧配合物的高压红外和拉曼光谱研究

测定了DL-2-氨基-4-磺酸基-丁酸 [DLH, DL-Homocysteic acid, (NH+₃)-CH(COOH)-(CH₂)₂-SO-₃] 及其稀土La配合物[La(DLH)₂Cl₃·H₂O=LaL₂]在不同压力下的红外和拉曼光谱。DLH 在50 kbar左右压力以下存在两个压力诱导相转变区,它们分别在17和37 kbar左右,两者均为二级相转变,认为分子间氢键的存在是出现两个压力诱导相转变区的原因。在红外光谱中,SO-₃的对称伸缩振动的压力灵敏度(dν/dp)表现出与其他振动模式不同的变化趋势,它们在低压相区的平均压力灵敏度为0.30 cm-1·(kbar)-1、中压相区为0.32 cm-1·(kbar)-1、高压相区为0.41 cm-1·(kbar)-1,低压相区与高压相区的比值为0.72, 而其他振动模式刚好相反,低压相区与高压相区的比值为4.8。稀土La配合物LaL₂的生成,改变了分子间的氢键,在50 kbar左右压力以下只观察到1个压力诱导相转变区(27 kbar附近)。在红外光谱中,配合物LaL₂中SO-₃的反对称伸缩振动的压力灵敏度(dν/dp)也表现出与其他振动模式不同的变化趋势,它们在低压相区的平均压力灵敏度与高压相区的平均压力灵敏度的比值为0.43, 而其他振动模式的比值为2.5。     

Dual Mode EPR Studies of a Kramers ion: High-Spin Co(II) in 4-, 5- and 6-Coordination

The EPR spectra of high-spin Co(II) systems typically consist of poorly resolved resonances, broadened by a combination of large g-anisotropy, sizable spin?Corbit couplings and admixture of excited state character into the magnetic ground state. In this report, we present dual-mode EPR studies of a set of 4-, 5- and 6-coordinate Co(II) complexes, as well as cobalt-substituted carbonic anhydrase, with and without a bidentate chelator. The suite of samples shows surprisingly large signals in parallel mode that cannot be accounted for by imperfections in the isolation of the parallel and perpendicular polarizations. To our knowledge, this is the first report of parallel polarization EPR from a Kramers system. We suggest that the parallel mode signals arise from admixture of excited state character into the ground state, and that the methods employed here may provide a means of quantitatively assessing the extent of mixing.     

Magnetization study of mercurocuprate (Hg,Re)Sr2CuO4+δ

The nominal (Hg_1−x Re _x )Sr₂CuO_4+δ (x=0.10 and 0.20) samples were synthesized at ∼ 920°C in partial vacuum. The compound with x=0.10 exhibits superconductivity at ∼ 54 K while the composition x=0.20 is non-superconducting down to 5 K. On cooling below 10 K in an applied field of 4 kOe, the former causes a noticeable upturn in the field cooled (FC) magnetization signal. Such a change in magnetic response is also reflected in the magnetic hysteresis loop generated at 9 K. We attribute this effect to a paramagnetic contribution arising from Re in (Hg,Re)-1201 phase.     

Magnetic behaviour of Y(Fe, M)2 compounds M = Al, Co, Rh, Ir

In Y(Fe, M)₂ compounds, the presence of Fe moments even at high M concentrations and the appearance of a percolation limit for the onset of long range magnetic order is typical. A dominance of the volume contribution to the isomer shift is obtained, indicating that for the Fe atoms charge transfers are of minor importance.     

Magnetisches Verhalten heterogener Legierungen: R5Co19+RCo5 (R=Ce,Ce-La,CeMM)

Magnetic and mechanical properties of the new phase R₅Co₁₉ in the Ce-Co, Ce-La-Co and CeMM-Co systems have been investigated. The effect of this phase on the magnetic properties of RCo₅ alloys (R=Ce, CeLa and CeMM) and the influence of the variation in composition of commercial CeMM on the magnetic properties of CeMMCo₅ are presented.

     

High Pressure Studies on the Optical and Electronic Properties of Para -Terphenyl

Based on X-ray powder diffraction experiments of p -terphenyl that yield pressure dependent lattice parameters, we performed geometry optimizations of all structural degrees of freedom including bond lengths and bond angles as well as molecular orientation using ab initio bandstructure methods. For these optimized structures we calculated the dielectric tensors. Upon increasing pressure we find a spectral red shift of the lowest energy absorption feature that is significantly smaller than that of the second peak at higher energies. We attribute this effect to intermolecular interactions that affect the bands involved in the second transition more than the bands giving raise to the first transition. This picture is confirmed by quantum chemical calculations for single molecules with the internal geometry extracted from the optimized structures.