Crystal field in RPdIn (R=Ce, Pr, Nd) compounds

The RPdIn compounds (R = rare earth) crystallise in the hexagonal ZrNiAl-type crystal structure. The compounds from this family exhibit a great variety of interesting magnetic properties including heavy fermion behaviour. In order to get a deeper insight into nature of magnetism of RPdIn with light rare earths elements (La–Nd) an inelastic neutron scattering experiment was performed. For compounds with Pr and Nd excitations due to crystal field were clearly distinguished. On the other hand, interesting behaviour for the CePdIn sample was observed. The sample exhibits no signs of crystal field excitations, likely due to highly delocalised Ce 4f states leading to its heavy fermion behaviour.     

First-principles investigations of the physical properties of RCd (R=Ce,La, Pr,Nd)

The crystal structural, electronic, elastic and the thermodynamic properties of RCd are investigated by using the first-principles plane-wave pseudopotential density function theory within the generalized gradient approximation (GGA). The calculated equilibrium lattice parameters for RCd are in good agreement with the available experimental data. Furthermore, the optical properties, namely the dielectric function, refractive index and electron energy loss are reported for radiation up to 30 eV. Finally, the elastic properties, the bulk modulus and the Debye temperature of RCd are given for reference.     

Transport properties and mangetoresistance of (RE,Sr)2NiO4 (RE=Pr,Nd, Sm and Eu)

We report on the crystal growth and the measurements of resistivity, magnetoresistance and photoemission spectroscopy of (RE,Sr)₂NiO₄ in the heavily Sr-doped region. Although the in-plane resistivity of the heavily Sr-doped crystals was rather small at room temperature, it increased for several orders of magnitude with decreasing temperature. A large negative magnetoresistance was observed for NdSrNiO₄ at low temperature, while only small magnetoresistance was observed for the single crystals of RE=Pr, Sm and Eu. Photoemission spectroscopy measurements revealed a significant influence of the RE 4f states to the electronic structure at relatively low binding energies in PrSrNiO₄ and NdSrNiO₄.     

Electronic structure and magnetism of RPdIn compounds (R=La, Ce, Pr, Nd)

RPdIn (R = La-Nd) compounds were studied by means of magnetic susceptibility, specific heat and photoelectron spectroscopy measurements. The results prove that CePdIn is an antiferromagnetic Kondo lattice with T_N below 1.7 K. The Pr-based indide remains paramagnetic down to 1.7 K, and the lack of any magnetic ordering may be due to the presence of a singlet as the crystalline electric field ground state or/and strong hybridization between Pr 4f states and Pd 4d states. In turn, NdPdIn exhibits ferromagnetism below about 26 K. In contrast to CePdIn, for the Pr- and Nd-based compounds any significant enhancement of the electronic specific heat coefficient was observed.     

Theoretical investigation of new type of ternary magnesium alloys AMgNi4 (A=Y,La, Ce,Pr and Nd)

New ternary magnesium alloys AMgNi₄ (A=Y, La, Ce, Pr and Nd) have been studied by First-Principles calculations within the generalized gradient approximation. The optimized structural parameters were in good agreement with the available experimental data. The calculated cohesive energies and formation enthalpies showed that these alloys had strong structural stability. Then the elastic constants C_ij of these AMgNi₄ alloys were calculated, and the bulk modulus B, shear modulus G, Young's modulus E, Poisson's ratio ν and anisotropy value A of polycrystalline materials were derived from the elastic constants, the related mechanical properties were further discussed. The electronic structures were also calculated to reveal the underlying mechanism for the structural stability and the elastic property.     

Superconductivity of F-substituted LnOBiS2 (Ln=La,Ce, Pr,Nd, Yb) compounds

Polycrystalline samples of F-substituted LnOBiS₂ (Ln?=?La, Ce, Pr, Nd, Yb) compounds were synthesized by solid-state reaction. The samples were characterized by X-ray diffraction measurements and found to have the ZrCuSiAs crystal structure. Electrical resistivity and magnetic susceptibility measurements were performed on all of the samples and specific heat measurements were made on those with Ln?=?La, Ce, and Yb. All of these compounds exhibit superconductivity in the range 1.9?K–5.4?K, which has not previously been reported for the compounds based on Ce, Pr, and Yb. The YbO_0.5F_0.5BiS₂ compound was also found to exhibit magnetic order at ～2.7?K that apparently coexists with superconductivity below 5.4?K.     

Elastic and brittle properties of the B2-MgRE (RE = Sc,Y, Ce,Pr, Nd,Gd, Tb,Dy, Ho,Er) intermetallics

The brittle and elastic properties of the B2-MgRE (RE = Sc, Y, Ce, Pr, Nd, Gd, Tb, Dy, Ho, Er) intermetallics have been investigated using first-principles density functional calculations. The calculated equilibrium lattice constants and enthalpies of formation are in overall agreement with the available experiment and theoretical results. The related physical properties of those compounds are compared with that of ductile YCu. The Fermi energy occurs above a peak in the DOS for B2-MgRE intermetallics, whereas for ductile YCu the Fermi energy occurs near a minimum in the DOS. For B2-YCu, the partial density of states of d-states at the Fermi energy is low, while for B2-MgRE the RE d-states are partially occupied, indicating their important roles in the directional bonding for this material. The Cauchy pressure (C₁₂-C₄₄) and the ratio of bulk to shear modulus B/G are used to assess the brittle/ductile behavior of B2-MgRE and YCu compounds. It can be concluded that the B2-MgRE alloys have brittle behavior. MgSc is the most brittle, and MgHo is the least brittle amongst those alloys.     

Magnetic studies of RCo12B6 compounds (R=Y,Ce, Pr,Nd, Sm,Gd and Dy)

Magnetization of the RCo₁₂B₆ borides (R=Y, Ce, Pr, Nd, Sm, Gd and Dy), which crystallize in a rhombohedral structure of the SrNi₁₂B₆-type, has been measured in the temperature range 4.2–300 K. All compounds were found to order magnetically with Curie temperatures ranging from 154 to 177 K. Saturation moments at 4.2 K were found to be 6.5, 5.4, 8.4, 8.8, 6.8, 2.1 and 5.9μ_B/f.u. for R=Y, Ce, Pr, Nd, Sm, Gd and Dy, respectively. These results imply a ferromagnetic coupling of Co and rare earth moments for light rare earths and an antiferrimagnetic coupling for heavy rare earths in these compounds. A spin-compensation effect is observed in GdCo₁₂B₆ alloys at T_comp=46 and 72 K, respectively. Results suggest that in CeCo₁₂B₆ the Ce ion exists in the quadripositive state. It is clear that RCo₁₂B₆ materials are not of interest for permanent magnet applications.     

First-principles study on the crystal, electronic structure and mechanical properties of hexagonal Al3RE (RE = La, Ce, Pr, Nd, Sm, Gd) intermetallic compounds

The structural properties, elastic properties and electronic structures of hexagonal Al₃RE intermetallic compounds are calculated by using first-principles calculations based on density functional theory. Since there exists strong on-site Coulomb repulsion between the highly localized 4f electrons of RE atoms, we present a combination of the GGA and the LSDA+U approaches in order to obtain the appropriate results. The GGA calculated lattice constants for the hexagonal Al₃RE intermetallic compounds are in good agreement with available experimental values. The results of cohesive energy indicate that these compounds can be stable under absolute zero Kelvin and the stability of Al₃Gd is the strongest in all of the hexagonal Al₃RE compounds. The densities of states for GGA and LSDA+U approaches are also obtained for the Al₃RE intermetallic compounds. The mechanical properties are calculated from the GGA method in this paper. According to the computed single crystal elastic constants, Al₃La, Al₃Sm and Al₃Gd are mechanically unstable, while Al₃Ce, Al₃Pr and Al₃Nd are stable. The polycrystalline elastic modulus and Poisson’s ratio have been deduced by using Voigt-Reuss-Hill (VRH) approximations, and the calculated ratio of bulk modulus to shear modulus indicates that Al₃La compound is ductile material, but Al₃Ce, Al₃Pr, Al₃Nd, Al₃Sm and Al₃Gd are brittle materials.     

Magnetic interactions and crystal field in RMg3 compounds (R = Ce,Pr, Nd)

We have carried out a study of magnetic properties, electrical resistivity and of crystal field excitations using inelastic neutron scattering, in cubic RMg₃ compounds with light rare earths R = Ce, Pr and Nd. The ground states are the Γ₇ and Γ₆ doublets for CeMg₃ and NdMg₃, which order at 3.5 and 6.5 K, respectively. PrMg₃ has the non-magnetic Γ₃ ground state and remains a Van Vleck paramagnet. The magnetic contribution to the resistivity has been separated. It allows us to evaluate the couplings between the 4f shell and the conduction band which is much larger for CeMg₃ than for the other compounds. The coupling constant Γ is negative in this case, as shown by an incipient Kondo effect in this compound.     

Transport properties and point-contact spectra of RECu6 with RE=La,Ce and Pr

Measurements of the current-voltage characteristics on point-contacts, of the thermopower and the thermal conductivity between 1.3 and 300 K and of the electrical resistivity between 4.2 and 900 K of polycrystalline samples of ReCu₆ (RE=La, Ce, Pr, Gd) are presented. The anomalies of the heavy fermion system CeCu₆ are strong compared to the other systems, but the properties of LaCu₆ and PrCu₆ are also unusual, possibly caused by the complicated crystal structure and, for PrCu₆, by crystal field effects.     

De Haas-van Alphen effect in rare-earth hexaborides (RE=Pr,Nd, Gd)

The de Haas-van Alphen (dHvA) effect has been measured for antiferromagnetic PrB₆, NdB₆, and GdB₆. The dHvA data of PrB₆ and NdB₆ show paramagnetic Fermi surfaces which arise from magnetic breakdown through the small antiferromagnetic gaps in high fields very similar to those of LaB₆. In contrast, the antiferromagnetic Fermi surfaces which arise from new magnetic Brillouin zone boundaries introduced by the magnetic order seem to be very different in PrB₆ and NdB₆, respectively. In GdB₆ dHvA oscillations could be observed for the first time. In all three compounds magnetic phase transitions have been observed in the dHvA measurements in the field range of 10–12 T.Dedicated to Professor Hund on the occasion of his 95th birthday     

Magnetic properties of RE2Au compounds (RE = Pr,Nd, Gd,Tb, Dy,Ho, Er,Tm and Y)

Magnetic properties of nine RE₂Au compounds have been studied in fields of up to 19 kOe in the temperature range 4.2K–300K. It has been found that all compounds are paramagnetic at room temperature except Gd₂Au. The compounds with Pr, Nd, Ho, Er and Tm exhibit Curie-Weiss behaviour with paramagnetic moments in close agreement with those expected for the free RE³⁺ ion. The moment of gold was found to be zero. The compounds with Pr, Nd, Tb, Dy, Er and Tm are antiferromagnetic at low temperatures. It appears that Ho₂Au is ferromagnetically ordered below 4.5 K. No evidence for magnetic ordering was found for Y₂Au. The compound with Tb exhibits metamagnetic behaviour.     

Growth and spectroscopic properties of RE, Mn:YAP (RE=Yb and Ce) photorefractive crystals

RE, Mn:YAP (RE=Yb and Ce) crystals with dimension of Φ 25×60 mm were successfully grown by the Czochralski method. The spectroscopic properties of RE, Mn:YAP (RE=Yb and Ce) crystals before and after γ-irradiation were investigated at room temperature. The results show that the content of Mn⁴⁺ ions was increased with the Yb³⁺ ions co-doping, but decreased by Ce³⁺ ions co-doping. Thermoluminescence (TL) spectra of the crystals indicate three steps of recombination, and the probable recombination processes were discussed.     

Structural and magnetic properties of RET2Sn2 compounds (RE=La,Ce, Sm; T=Ni,Cu)

The following compounds have been synthesized: LaCu₂Sn₂, CeCu₂Sn₂, SmCu₂Sn₂ and SmNi₂Sn₂. By means of X-ray diffraction their structure was determined to be primitive tetragonal of CaBe₂Ge₂-type (space group P4/nmm) and the lattice parameters were obtained.¹¹⁹Sn Mössbauer measurements were performed in a temperature range between 4.2 K and 300 K. The temperature dependence of the Lamb-Mössbauer factor reveals considerable softening of lattice vibration modes below 160 K. Only SmCu₂Sn₂ orders magnetically above 4.2 K.     

Transport,magnetic and thermodynamic properties of REPd2Ga3, RE = Pr,Nd, Sm

We present various investigations on the transport, magnetic and thermodynamic properties of the new ternary compounds REPd₂Ga₃ with RE = Pr, Nd, Sm. While PrPd₂Ga₃ does not show long-range magnetic order down to about 0.3 K, both NdPd₂Ga₃ and SmPd₂Ga₃ order magnetically. The latter exhibits a ferromagnetic ground state with weak ordered moments below T _c = 16.9 K and the former orders antiferromagnetically below T _N = 6.5 K with ordered Nd moments of 1.99(4) μ_B at saturation in the basal plane oriented perpendicular to the propagation vector k = [1/2, 0, 0]. The possibility of a Kondo type interaction in PrPd₂Ga₃ is discussed.     

Magnetic properties and structural chemistry of ternary silicides (RE,Th, U)Ru2Si2 (RE = RARE EARTH)

Ternary silicides (RE, Th, U)Ru₂Si₂ have been synthesized from the elements. All the compounds (RE = Y, La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu) were found to be isotypic and to crystallize with the structure type of ThCr₂Si₂ (ordered derivative of the BaAl₄-type). The magnetic behavior of these alloys was studied in the temperature range 1.5 K < T < 1100 K. Magnetic susceptibilities at temperatures T > 300 K closely follow a typical Van Vleck paramagnetism of free RE³⁺-ions. In the case of CeRu₂Si₂ susceptibilities are well described for 20 K < T < 1100 K by a Van Vleck paramagnetism of widely spaced multiplets; the observed effective paramagnetic moment μ_eff = 2.12 BM indicates a high percentage (85%) of Ce³⁺. SmRu₂Si₂ yields an effective moment μ_eff = 0.54 BM, which compares reasonably well with the Hund's rule J = 5/2 ground level for free Sm⁺ and a low-lying excited level with J = 7/2. For temperatures T > 15 K the magnetic susceptibility as a function of temperature follows the “Van Vleck behavior” for free Sm³⁺. At low temperatures ferromagnetic ordering was encountered for (Pr, Nd, Ho, Er, Tm)Ru₂Si₂, whereas antiferromagnetic ordering was observed for (Sm, Gd, Tb, Dy)Ru₂Si₂. The ordering temperatures are generally below 55 K. No superconductivity was found for temperatures as low as 1.8 K.