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Register a new userCrystal field and magnetism of Pr$^{3+}$ and Nd$^{3+}$ ions in orthorhombic perovskites
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Fifteen parameters characterizing the crystal field of rare-earth ions in the RMO$_3$ perovskites (R = Pr, Nd, M = Ga, Co) are calculated by expanding the local Hamiltonian expressed in the basis of Wannier functions into a series of spherical tensor operators. The method contains a single adjustable parameter that characterizes the hybridization of R($4f$) states with the states of oxygen ligands. Subsequently the energy levels and magnetic moments of trivalent R ion are determined by diagonalization of an effective Hamiltonian which, besides the crystal field, contains the $4f$ electron-electron repulsion, spin-orbit coupling and interaction with magnetic field. In the Ga compounds the energy levels of the ground multiplet agree within few meV with those determined experimentally by other authors. For all four compounds in question the temperature dependence of magnetic susceptibility is measured on polycrystalline samples and compared with the results of calculation. For NdGaO$_3$ theory is also compared with the magnetic measurements on a single crystal presented by Luis {it et al.} Phys. Rev. B {bf 58}, 798 (1998). A good agreement between the experiment and theory is found.
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A new series of cubic double perovskites Ba$_2R_{2/3}$TeO$_6$ ($R$ = Y, La, Pr, Nd, Sm-Lu) was synthesized via solid state reaction. The $R^{3+}$ and Te$^{6+}$ ions are ordered on alternating octahedral sites, with the rare earth sites 2/3 occupied to balance the charge. The lattice parameters decrease monotonically from a = 8.5533(3) {AA} for Ba$_2$La$_{2/3}$TeO$_6$ to a = 8.3310(4) {AA} for Ba$_2$Lu$_{2/3}$TeO$_6$. The lattice parameter for $R$ = Y is close to that of Ho. Analysis of the resulting bond lengths indicates a structural relaxation around the $R$ ion site. Ba$_2$La$_{2/3}$TeO$_6$, Ba$_2$Y$_{2/3}$TeO$_6$ and Ba$_2$Lu$_{2/3}$TeO$_6$ show primarily temperature-independent magnetic susceptibility due to the lack of a local rare earth moment. For Ba$_2$Sm$_{2/3}$TeO$_6$ and Ba$_2$Eu$_{2/3}$TeO$_6$, the susceptibilities are influenced by Van Vleck-like contributions from excited state multiplets. For the remaining members, the Curie-Weiss law is followed with low-temperature deviations that can be associated with various degrees of crystalline electric field splitting. No magnetic ordering was observed down to 1.8 K in any of the compounds.
High resolution low-temperature absorption spectra of 0.2% Pr^3+ doped CsCdBr_3 were measured in the spectral region 2000--7000 cm-1. Positions and widths of the crystal field levels within the 3H5, 3H4, 3F2, and 3F3 multiplets of the Pr^3+ main center have been determined. Hyperfine structure of several spectral lines has been found. Crystal field calculations were carried out in the framework of the semiphenomenological exchange charge model (ECM). Parameters of the ECM were determined by fitting to the measured total splittings of the 3H4 and 3H6 multiplets and to the observed in this work hyperfine splittings of the crystal field levels. One- and two-phonon relaxation rates were calculated using the phonon Greens functions of the perfect (CsCdBr_3) and locally perturbed (impurity dimer centers in CsCdBr_3:Pr^3+) crystal lattice. Comparison with the measured linewidths confirmed an essential redistribution of the phonon density of states in CsCdBr_3 crystals doped with rare-earth ions.
We report the single crystal growth and anisotropic magnetic properties of the tetragonal RAg$_2$Ge$_2$ (R = Pr, Nd and Sm) compounds which crystallize in the ThCr$_2$Si$_2$ type crystal structure with the space group textit{I4/mmm}. The single crystals of RAg$_2$Ge$_2$ (R = Pr, Nd and Sm) were grown by self-flux method using Ag:Ge binary alloy as flux. From the magnetic studies on single crystalline samples we have found that PrAg$_2$Ge$_2$ and NdAg$_2$Ge$_2$ order antiferromagnetically at 12 K and 2 K respectively, thus corroborating the earlier polycrystalline results. SmAg$_2$Ge$_2$ also orders antiferromagnetically at 9.2 K. The magnetic susceptibility and magnetization show a large anisotropy and the easy axis of magnetization for PrAg$_2$Ge$_2$ and NdAg$_2$Ge$_2$ is along the [100] direction where as it changes to [001] direction for SmAg$_2$Ge$_2$. Two metamagnetic transitions were observed in NdAg$_2$Ge$_2$ at $H_{rm m1}$ = 1.25 T and $H_{rm m2}$ =3.56 T for the field parallel to [100] direction where as the magnetization along [001] direction was linear indicating the hard axis of magnetization.
^139La nuclear magnetic resonance studies reveal markedly different magnetic properties of the two sites created by the charged domain wall formation in La_(5/3)Sr_(1/3)NiO_4. NMR is slow compared to neutron scattering; we observe a 30 K suppression in magnetic ordering temperature indicating glassy behavior. Applied magnetic field reorients the in-plane ordered moments with respect to the lattice, but the relative orientation of the spins amongst themselves is stiff and broadly distributed.
Band calculations for Ce compounds with the AuCu$_{3}$-type crystal structure were carried out on the basis of dynamical mean field theory (DMFT). The auxiliary impurity problem was solved by a method named NCA$f^{2}$vc (noncrossing approximation including the $f^{2}$ state as a vertex correction). The calculations take into account the crystal-field splitting, the spin-orbit interaction, and the correct exchange process of the $f^{1} rightarrow f^{0},f^{2}$ virtual excitation. These are necessary features in the quantitative band theory for Ce compounds and in the calculation of their excitation spectra. The results of applying the calculation to CePd$_{3}$ and CeRh$_{3}$ are presented as the first in a series of papers. The experimental results of the photoemission spectrum (PES), the inverse PES, the angle-resolved PES, and the magnetic excitation spectra were reasonably reproduced by the first-principles DMFT band calculation. At low temperatures, the Fermi surface (FS) structure of CePd$_{3}$ is similar to that of the band obtained by the local density approximation. It gradually changes into a form that is similar to the FS of LaPd$_{3}$ as the temperature increases, since the $4f$ band shifts to the high-energy side and the lifetime broadening becomes large.}
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