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Register a new userMagnetic properties of Fe$_{1-x}$Ni$_x$ alloy from CPA+DMFT perspectives
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We use a combination of the coherent potential approximation and dynamical mean field theory to study magnetic properties of the Fe$_{1-x}$Ni$_x$ alloy from a first principles. Calculated uniform magnetic susceptibilities have a Curie-Weiss-like behavior and extracted effective temperatures are in agreement with the experimental results. The individual squared magnetic moments obtained as function of nickel concentration follow the same trends as experimental data. An analysis of the ionic and spin weights shows a possibility of a high-spin to intermediate- and low-spin states transitions at high temperatures.
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We report measurements and analyses of resistivity, thermopower, and thermal conductivity of polycrystalline samples of perovskite LaRh$_{1-x}$Ni$_x$O$_3$. The thermopower is found to be large at 800 K (185 $mu$V/K for $x=$0.3), which is ascribed to the high-temperature stability of the low-spin state of Rh$^{3+}$/Rh$^{4+}$ ions. This clearly contrasts with the thermopower of the isostructural oxide LaCoO$_3$, which rapidly decreases above 500 K owing to the spin-state transition. The spin state of the transition-metal ions is one of the most important parameters in oxide thermoelectrics.
The thermodynamic properties of strongly correlated system with binary type of disorder are investigated using the combination of the coherent potential approximation and dynamical mean-field theory. The specific heat has a peak at small temperatures for the concentrations close to the filling of system. This peak is associated with the local moment formation due to Coulomb interaction. The linear coefficient to the specific heat is divergent and the system stays in the non-Fermi-liquid regime.
Structural, magnetization and heat capacity studies were performed on Ce$_2$(Pd$_{1-x}$Ni$_x$)$_2$Sn ($0 leq x leq 1$) alloys. The substitution of Pd atoms by isoelectronic Ni leads to a change in the crystallographic structure from tetragonal (for $x leq 0.3$) to centered orthorhombic lattice (for $x geq 0.4$). The volume contraction thorough the series is comparable to the expected from the atomic size ratio between transition metal components. The consequent weak increase of the Kondo temperature drives the two transitions observed in Ce$_2$Pd$_2$Sn to merge at $x = 0.25$. After about a 1% of volume collapse at the structural modification, the system behaves as a weakly magnetic heavy fermion with an enhanced degenerate ground state. Notably, an incipient magnetic transition arises on the Ni-rich size. This unexpected behavior is discussed in terms of an enhancement of the density of states driven by the increase of the $4f$-conduction band hybridization and the incipient contribution of the first excited crystal field doublet on the ground state properties.
We report on a single-crystal neutron diffraction study of the evolution of the antiferromagnetic order in the heavy-fermion compound CePd$_{1-x}$Ni$_x$Al which exhibits partial geometric frustration due to its distorted Kagome structure. The magnetic structure is found to be unchanged with a propagation vector $Q_mathrm{AF} approx (0.5~0~0.35)$ for all Ni concentrations $x$ up to $x_c approx 0.14$. Upon approaching the quantum critical concentration $x_c$, the ordered moment vanishes linearly with Neel temperature $T_{rm N}$, in good agreement with CePdAl under hydrostatic pressure. For all Ni concentrations, substantial short-range magnetic correlations are observed above $T_{rm N}$ as a result of frustration.
Cubic Half-Heusler Cu$_{1-x}$Co$_x$MnSb (0 $leq$ $x$ $leq$ 0.1) compounds have been investigated both experimentally and theoretically for their magnetic, transport and electronic properties in search of possible half metallic antiferromagnetism. The systems (Cu,Co)MnSb are of particular interest as the end member alloys CuMnSb and CoMnSb are semi metallic (SM) antiferromagnetic (AFM) and half metallic (HM) ferromagnetic (FM), respectively. Clearly, Co-doping at the Cu-site of CuMnSb introduces changes in the carrier concentration at the Fermi level that may lead to half-metallic ground state but there remains a persistent controversy whether the AFM to FM transition occurs simultaneously. Our experimental results reveal that the AFM to FM magnetic transition occurs through a percolation mechanism where Co-substitution gradually suppresses the AFM phase and forces FM polarization around every dopant cobalt. As a result a mixed magnetic phase is realized within this composition range while a nearly HM band structure is developed already at the 10% Co-doping. Absence of T$^2$ dependence in the resistivity variation at low T-region serves as an indirect proof of opening up an energy gap at the Fermi surface in one of the spin channels. This is further corroborated by the ab-initio electronic structure calculations that suggests a nearly ferromagnetic half-metallic ground state is stabilized by Sb-p holes produced upon Co doping.
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