Electronic structure and electric-field gradients analysis in CeIn3CeIn_3

Electric field gradients (EFG's) were calculated for the $CeIn_3$ compound at both $^{115}In$ and $^{140}Ce$ sites. The calculations were performed within the density functional theory (DFT) using the augmented plane waves plus local orbital (APW+lo) method employing the so-called LDA+U scheme. The $CeIn_3$ compound were treated as nonmagnetic, ferromagnetic, and antiferromagnetic cases. Our result shows that the calculated EFG's are dominated at the $^{140}Ce$ site by the Ce-4f states. An approximately linear relation is intuited between the main component of the EFG's and total density of states (DOS) at Fermi level. The EFG's from our LDA+U calculations are in better agreement with experiment than previous EFG results, where appropriate correlations had not been taken into account among 4f-electrons. Our result indicates that correlations among 4f-electrons play an important role in this compound and must be taken into account

Density of States and NMR Relaxation Rate in Anisotropic Superconductivity with Intersecting Line Nodes

We show that the density of states in an anisotropic superconductor with intersecting line nodes in the gap function is proportional to $E log (\alpha \Delta_0 /E)$ for $|E| << \Delta_0$, where $\Delta_0$ is the maximum value of the gap function and $\alpha$ is constant, while it is proportional to $E$ if the line nodes do not intersect. As a result, a logarithmic correction appears in the temperature dependence of the NMR relaxation rate and the specific heat, which can be observed experimentally. By comparing with those for the heavy fermion superconductors, we can obtain information about the symmetry of the gap function.Comment: 7 pages, 4 PostScript Figures, LaTeX, to appear in J. Phys. Soc. Jp

Unconventional Superconductivity in Heavy Fermion Systems

We review the studies on the emergent phases of superconductvity and magnetism in the $f$-electron derived heavy-fermion (HF) systems by means of the nuclear-quadrupole-resonance (NQR) under pressure. These studies have unraveled a rich variety of the phenomena in the ground state of HF systems. In this article, we highlight the novel phase diagrams of magnetism and unconventional superconductivity (SC) in CeCu$_2$Si$_2$, HF antiferromagnets CeRhIn$_5$, and CeIn$_3$. A new light is shed on the difference and common features on the interplay between magnetism and SC on the magnetic criticality.Comment: 15 pages, 13 figures, to appear in J. Phys. Soc. JPN, 74, No.1 (2005), special issue "Kondo Effect- 40 Years after the Discovery

Incommensurate spin fluctuations in hole-overdoped superconductor KFe2As2

A neutron scattering study of heavily hole-overdoped superconducting KFe$_2$As$_2$ revealed a well-defined low-energy incommensurate spin fluctuation at [$\pi(1\pm2\delta$),0] with $\delta$ = 0.16. The incommensurate structure differs from the previously observed commensurate peaks in electron-doped $A$Fe$_2$As$_2$ ($A$ = Ba, Ca, or Sr) at low energies. The direction of the peak splitting is perpendicular to that observed in Fe(Te,Se) or in Ba(Fe,Co)$_2$As$_2$ at high energies. A band structure calculation suggests interband scattering between bands around the $\Gamma$ and X points as an origin of this incommensurate peak. The perpendicular direction of the peak splitting can be understood within the framework of multiorbital band structure. The results suggest that spin fluctuation is more robust in hole-doped than in electron-doped samples, which can be responsible for the appearance of superconductivity in the heavily hole-doped samples.Comment: 4 pages, 4 figure

Pressure-induced unconventional superconductivity in the heavy-fermion antiferromagnet CeIn3: An 115In-NQR study under pressure

We report on the pressure-induced unconventional superconductivity in the heavy-fermion antiferromagnet CeIn3 by means of nuclear-quadrupole-resonance (NQR) studies conducted under a high pressure. The temperature and pressure dependences of the NQR spectra have revealed a first-order quantum-phase transition (QPT) from an AFM to PM at a critical pressure Pc=2.46 GPa. Despite the lack of an AFM quantum critical point in the P-T phase diagram, we highlight the fact that the unconventional SC occurs in both phases of the AFM and PM. The nuclear spin-lattice relaxation rate 1/T1 in the AFM phase have provided evidence for the uniformly coexisting AFM+SC phase. In the HF-PM phase where AFM fluctuations are not developed, 1/T1 decreases without the coherence peak just below Tc, followed by a power-law like T dependence that indicates an unconventional SC with a line-node gap. Remarkably, Tc has a peak around Pc in the HF-PM phase as well as in the AFM phase. In other words, an SC dome exists with a maximum value of Tc = 230 mK around Pc, indicating that the origin of the pressure-induced HF SC in CeIn3 is not relevant to AFM spin fluctuations but to the emergence of the first-order QPT in CeIn3. When the AFM critical temperature is suppressed at the termination point of the first-order QPT, Pc = 2.46 GPa, the diverging AFM spin-density fluctuations emerge at the critical point from the AFM to PM. The results with CeIn3 leading to a new type of quantum criticality deserve further theoretical investigations

Spin Fluctuation Induced Superconductivity Controlled by Orbital Fluctuation

A microscopic Hamiltonian reflecting the correct symmetry of $f$-orbitals is proposed to discuss superconductivity in heavy fermion systems. In the orbitally degenerate region in which not only spin fluctuations but also orbital fluctuations develop considerably, cancellation between spin and orbital fluctuations destabilizes $d_{x^{2}-y^{2}}$-wave superconductivity. Entering the non-degenerate region by increasing the crystalline electric field, $d_{x^{2}-y^{2}}$-wave superconductivity mediated by antiferromagnetic spin fluctuations emerges out of the suppression of orbital fluctuations. We argue that the present scenario can be applied to recently discovered superconductors CeTIn$_{5}$ (T=Ir, Rh, and Co).Comment: 4 pages, 3 figure

Quasiparticle spin susceptibility in heavy-fermion superconductors : An NMR study compared with specific heat results

Quasi-particle spin susceptibility ($\chi^{qp}$) for various heavy-fermion (HF) superconductors are discussed on the basis of the experimental results of electronic specific heat ($\gamma_{el}$), NMR Knight shift ($K$) and NMR relaxation rate ($1/T_1$) within the framework of the Fermi liquid model for a Kramers doublet crystal electric field (CEF) ground state. $\chi^{qp}_{\gamma}$ is calculated from the enhanced Sommerfeld coefficient $\gamma_{el}$ and $\chi^{qp}_{T_1}$ from the quasi-particle Korringa relation $T_1T(K^{qp}_{T_1})^2=const.$ via the relation of $\chi^{qp}_{T_1}=(N_A\mu_B/A_{hf})K^{qp}_{T_1}$ where $A_{hf}$ is the hyperfine coupling constant, $N_A$ the Abogadoro's number and $\mu_B$ the Bohr magneton. For the even-parity (spin-singlet) superconductors CeCu$_2$Si$_2$, CeCoIn$_5$ and UPd$_2$Al$_3$, the fractional decrease in the Knight shift, $\delta K^{obs}$, below the superconducting transition temperature ($T_c$) is due to the decrease of the spin susceptibility of heavy quasi-particle estimated consistently from $\chi^{qp}_{\gamma}$ and $\chi^{qp}_{T_1}$. This result allows us to conclude that the heavy quasi-particles form the spin-singlet Cooper pairs in CeCu$_2$Si$_2$, CeCoIn$_5$ and UPd$_2$Al$_3$. On the other hand, no reduction in the Knight shift is observed in UPt$_3$ and UNi$_2$Al$_3$, nevertheless the estimated values of $\chi^{qp}_{\gamma}$ and $\chi^{qp}_{T_1}$ are large enough to be probed experimentally. The odd-parity superconductivity is therefore concluded in these compounds. The NMR result provides a convincing way to classify the HF superconductors into either even- or odd- parity paring together with the identification for the gap structure, as long as the system has Kramers degeneracy.Comment: 11 pages, 3 tables, 5 figures, RevTex4(LaTex2e