Electronic correlations in FeGa3 and the effect of hole doping on its magnetic properties

We investigate signatures of electronic correlations in the narrow-gap semiconductor FeGa 3 by means of electrical resistivity and thermodynamic measurements performed on single crystals of FeGa 3 , Fe 1−x Mn x Ga 3 , and FeGa 3−y Zn y , complemented by a study of the 4d analog material RuGa 3 . We find that the inclusion of sizable amounts of Mn and Zn dopants into FeGa 3 does not induce an insulator-to-metal transition. Our study indicates that both substitution of Zn onto the Ga site and replacement of Fe by Mn introduces states into the semiconducting gap that remain localized even at highest doping levels. Most importantly, using neutron powder diffraction measurements, we establish that FeGa 3 orders magnetically above room temperature in a complex structure, which is almost unaffected by the doping with Mn and Zn. Using realistic many-body calculations within the framework of dynamical mean field theory (DMFT), we argue that while the iron atoms in FeGa 3 are dominantly in an S=1 state, there are strong charge and spin fluctuations on short-time scales, which are independent of temperature. Further, the low magnitude of local contributions to the spin susceptibility advocates an itinerant mechanism for the spin response in FeGa 3 . Our joint experimental and theoretical investigations classify FeGa 3 as a correlated band insulator with only small dynamical correlation effects, in which nonlocal exchange interactions are responsible for the spin gap of 0.4 eV and the antiferromagnetic order. We show that hole doping of FeGa 3 leads, within DMFT, to a notable strengthening of many-body renormalizations

Magnetic structure of Yb2Pt2Pb: Ising moments on the Shastry-Sutherland lattice.

Neutron diffraction measurements were carried out on single crystals and powders of Yb2Pt2Pb, where Yb moments form two interpenetrating planar sublattices of orthogonal dimers, a geometry known as Shastry-Sutherland lattice, and are stacked along the c axis in a ladder geometry. Yb2Pt2Pb orders antiferromagnetically at TN=2.07K, and the magnetic structure determined from these measurements features the interleaving of two orthogonal sublattices into a 5×5×1 magnetic supercell that is based on stripes with moments perpendicular to the dimer bonds, which are along (110) and (−110). Magnetic fields applied along (110) or (−110) suppress the antiferromagnetic peaks from an individual sublattice, but leave the orthogonal sublattice unaffected, evidence for the Ising character of the Yb moments in Yb2Pt2Pb that is supported by point charge calculations. Specific heat, magnetic susceptibility, and electrical resistivity measurements concur with neutron elastic scattering results that the longitudinal critical fluctuations are gapped with ΔE≃0.07meV

Coexistence of magnetic order and valence fluctuations in the Kondo lattice system Ce2Rh3Sn5

We report on the electronic band structure, structural, magnetic, and thermal properties of Ce2Rh3Sn5. Ce LIII-edge XAS spectra give direct evidence for an intermediate valence behavior. Thermodynamic measurements reveal magnetic transitions at TN1≈2.9 K and TN2≈2.4 K. Electrical resistivity shows behavior typical for the Kondo lattices. The coexistence of magnetic order and valence fluctuations in a Kondo lattice system we attribute to a peculiar crystal structure in which Ce ions occupy two distinct lattice sites. Analysis of the structural features of Ce2Rh3Sn5, together with results of electronic band structure calculations and thermodynamic and spectroscopic data indicate that at low temperatures only Ce ions from the Ce1 sublattice adopt a stable trivalent electronic configuration and show local magnetic moments that give rise to the magnetic ordering. By contrast, our study suggests that Ce2 ions exhibit a nonmagnetic Kondo-singlet ground state. Furthermore, the valence of Ce2 ions estimated from the Ce LIII-edge XAS spectra varies between +3.18 at 6 K and +3.08 at room temperature. Thus our joined experimental and theoretical investigations classify Ce2Rh3Sn5 as a multivalent charge-ordered system

Research data supporting "Large Fermi Surface of Heavy Electrons at the Border of Mott Insulating State in NiS2"

High pressure, low temperature, high magnetic field data obtained on high quality single crystals of NiS2, to clarify the nature of the pressure induced metal-insulator transition and to map out key parts of the electronic Fermi surface in the high pressure metallic state. Resistivity measurements under pressure were carried out at the Cavendish Laboratory, Cambridge, and tank circuit oscillator measurements were carried out at NHMFL Tallahassee. The Fermi surface calculations were performed using Wien2k and plotted using Xcrysden. Details of the methods and analysis methods are published in the Scientific Reports article with the same name.This work was supported by the ERC, EPSRC [grant number EP/K012894/1], NSF [grant number DMR-1157490], DOE [grant number NNSA SSAA DE-NA0001979]

Muon-spin-relaxation and inelastic neutron scattering investigations of the caged-type Kondo semimetals: CeT2Al10 (T = Fe, Ru and Os)

Recently the Ce-based caged-type compounds having general formula CeT2Al10 (T=Fe, Ru and Os) have generated considerable interest due to the Kondo semiconducting paramagnetic ground state (down to 40 mK) observed in CeFe2Al10 and anomalously high magnetic ordering temperature with a spin gap formation at low temperatures in Kondo semimetals CeRu2Al10 and CeOs2Al10. The formation of long-range magnetic ordering out of the Kondo semiconducting/semimetallic state itself is extraordinary and these are the first examples of this enigmatic coexistence of electronic ground states. These compounds also exhibit strong anisotropy in the magnetic and transport properties, which has been explained on the basis of single ion crystal electric field (CEF) anisotropy in the presence of strongly anisotropic hybridization between localised 4f-electron and conduction electrons. Further they also exhibit a remarkable modification of magnetic and transport properties with doping on Ce, or T or Al sites. In this review we briefly discuss the bulk properties of these compounds, giving a detailed discussion on our muon-spin-relaxation (muSR) investigations and inelastic neutron scattering (INS) results.Comment: 36 pages, 21 figures, 2 tables. Physica Scripta (2013