Solid Compounds of Transition Elements

Volume 257

doi: 10.4028/

Paper Title Page

Authors: Wolfgang Jeitschko
Abstract: The first conference on what became the SCTE series was organized by André Michel in Paris in 1965. It was intended to deal with the preparation and Propriétés Thermodynamiques, Physiques et Structurales des Dérivés Semi-Métalliques. The results of experimental as well as theoretical investigations were reported by inorganic chemists, physicists, and crystallographers. Originally, the emphasis was on compounds of the transition metals, the rare earth elements, and the actinoids with the main group elements S, Se, Te, N, P, As, Sb, C, Si, Ge, Sn, and boron. Work on oxides and halides was presented only occasionally. Over the years this has changed gradually. Now investigations of oxides comprise some 10 to 20 % of all reports, especially investigations of compounds with small band gaps and interesting physical properties. The emphasis is shifting from fundamental research to investigations with a view on applications.
Authors: Devashibhai T. Adroja, Y. Muro, Toshiro Takabatake, M.D. Le, H.C. Walker, K.A. McEwen, Andrew T. Boothroyd
Abstract: The recent discovery of topological Kondo insulating behaviour in strongly correlated electron systems has generated considerable interest in Kondo insulators both experimentally and theoretically. The Kondo semiconductors CeT2Al10 (T=Fe, Ru and Os) possessing a c-f hybridization gap have received considerable attention recently because of the unexpected high magnetic ordering temperature of CeRu2Al10 (TN=27 K) and CeOs2Al10 (TN=28.5 K) and the Kondo insulating behaviour observed in the valence fluctuating compound CeFe2Al10 with a paramagnetic ground state down to 50 mK. We are investigating this family of compounds, both in polycrystalline and single crystal form, using inelastic neutron scattering to understand the role of anisotropic c-f hybridization on the spin gap formation as well as on their magnetic properties. We have observed a clear sign of a spin gap in all three compounds from our polycrystalline study as well as the existence of a spin gap above the magnetic ordering temperature in T=Ru and Os. Our inelastic neutron scattering studies on single crystals of CeRu2Al10 and CeOs2Al10 revealed dispersive gapped spin wave excitations below TN. Analysis of the spin wave spectrum reveals the presence of strong anisotropic exchange, along the c-axis (or z-axis) stronger than in the ab-plane. These anisotropic exchange interactions force the magnetic moment to align along the c-axis, competing with the single ion crystal field anisotropy, which prefers moments along the a-axis. In the paramagnetic state (below 50 K) of the Kondo insulator CeFe2Al10, we have also observed dispersive gapped magnetic excitations which transform into quasi-elastic scattering on heating to 100 K. We will discuss the origin of the anisotropic hybridization gap in CeFe2Al10 based on theoretical models of heavy-fermion semiconductors.
Authors: Nastasia Klymentiy, Nataliya Semuso, Svitlana Pukas, Yaroslav O. Tokaychuk, Lev Akselrud, Roman E. Gladyshevskii
Abstract: The crystal structure of a new ternary aluminide of refined composition Sc6Cu24.1(2)Al11.9(2) was solved by direct methods from X-ray powder diffraction data. It belongs to the cubic space group Im-3, Pearson symbol cI176-8, a = 13.5337(5) Å. The structure of Sc6Cu24.1Al11.9 may be described as a packing of 16-vertex coordination polyhedra of the Sc atoms, which form icosahedral clusters around the origin and the center of the body-centered unit cell. The voids at the centers of the clusters are filled by Cu4 tetrahedra, disordered between two possible orientations. The structure is closely related to the structure types Ru3Be17 and Ce6Au27.6Sn6.8.
Authors: Aleksandr A. Povzner, Arkadij G. Volkov, Ivan A. Yasyulevich
Abstract: The effect of pressure on the Neel temperature (TN) and on the temperature dependence of the magnetic susceptibility of a helicoidal ferromagnetic MnSi was analyzed as part of the LDA+U-model augmented with the account of the relativistic antisymmetric Dzyaloshinskii-Moriya interaction. It was shown that the Fermi level is in the area of DOS local minimum. This causes instability of magnetic solutions and the occurrence of higher amplitude zero spin fluctuations simulating the pattern of local magnetic moments. An increase in temperature-dependent spin-fluctuation effects with an increase in pressure leads to a decrease in TN. As a result, at pressures above 14.45 kbar, zero spin fluctuations are retained over the entire temperature range below TN. After disappearance of helicoidal ferromagnetism, a paramagnetic state occurs where the effect of the abrupt suppression of local magnetic moments takes place upon a temperature increase.
Authors: Takuto Kazama, Minoru Maeda, Kouichi Takase, Yoshiki Takano, Tadataka Watanabe
Abstract: We investigate electric and magnetic properties of quasi-one-dimensional transition-metal carbides Sc3TC4 (T = Co, Ru, and Os), and their mixed crystals Sc3(Co1-xRux)C4 and Sc3(Ru1-xOsx)C4. Sc3CoC4 exhibits successive phase transitions of charge-density-wave transition at TCDW ~ 140 K, Peierls-like structural transition at Ts ~ 70 K, and superconducting transition at Tc ~ 5 K. Sc3RuC4 and Sc3OsC4 exhibit a phase transition at T* ~ 220 K and 250 K, respectively, which should occur in the low-dimensional electronic structure. For Sc3CoC4, it is revealed by the investigation of the electric and magnetic properties of Sc3(Co1-xRux)C4 that the phase transitions at TCDW, Ts, and Tc exhibit different robustness against Ru doping. For Sc3RuC4 and Sc3OsC4, it is revealed by the investigation of the electric and magnetic properties of Sc3(Ru1-xOsx)C4 that an identical kind of phase transition occurs at T*. Additionally, the present study reveals that the phase transition at T* in Sc3RuC4 and Sc3OsC4 is inherently different from the phase transitions at TCDW, Ts, and Tc in Sc3CoC4.
Authors: Hadda Krarcha, A. Ferroudj, Salima Mesadia
Abstract: In order to investigate Hafnium transition metal alloys HfM (M= Co, Ir, Os,Pt, Rh, Ru) phase diagrams in the region of 50/50% atomic ratio, we performed ab initio Full-Potential Linearized Augmented Plane Waves calculations of the enthalpies of formation of HfM compounds at B2 (CsCl) structure type. The obtained enthalpies of formation are discussed and compared to some of the existing models and available experimental data.
Authors: Elena Anikina, Yury Yaropolov, Victor Somenkov, Victor Verbetsky
Abstract: The hydrogenation of TbNi0.4Co0.6 was studied by means of neutron diffraction and calorimetric method with use of the differential heat-conducting Tian-Calvet type calorimeter. It was determined that TbNi0.4Co0.6H3.8 crystallized in orthorhombic CrB-type structure (S.G. Cmcm). The hydride formation is accompanied with strong lattice expansion. In the structure TbNi0.4Co0.6D3.4 deuterium atoms occupy tetrahedral 8f-intersices, trigonal bipyramidal 4c-interstices and octahedral 4b-interstices. Dependence of the differential molar enthalpy of absorption (ΔHabs) vs. the hydrogen concentration in the metallic matrix was obtained at 50°C. It was ascertained that in the range of 0<X<2.0 (X=H/ TbNi0.4Co0.6) ΔHabs =-102.0±2.3 kJ mol-1H2. The value of the integral enthalpy of hydrogen absorption by TbNi0.4Co0.6 equals -99.5kJ mol-1H2 for the composition TbNi0.4Co0.6H3.8.
Authors: Didem Ovalı, M. Lütfi Öveçoğlu
Abstract: In this study, tungsten silicide powders mechanochemically synthesized using WO3-SiO2-Mg powder blends. Stoichiometric proportions and excess amounts of initial powders were used to indicate the effects of final composition of synthesized tungsten silicide powders. Since the initial powder compositions affect the reaction times, all compositions were mechanically alloyed for 1 hour. In addition, thermodynamic calculations of all compositions were theoretically conducted. The dominant phases are WSi2 and MgO for all mechanically alloyed powders. Results show that the excess amount additions of initial powders directly effects the amount and formation of resultant phases in the synthesized powder compositions.
Authors: Sérgio Souto Maior Tavares, Adriana da Cunha Rocha, Manoel Ribeiro da Silva, Carlos Augusto Silva de Oliveira, Rachel Pereira Carneiro da Cunha
Abstract: The demand for high strength materials with improved corrosion resistance boosted the development of supermartensitic steels from conventional martensitic stainless steels The first alloys were designed with 11-13%Cr, extra-low carbon and nickel addition. More recently, experimental alloys with higher Cr (15-17%) and other ferritizing elements (Mo, W, Nb,…) were developed with the aim of obtain higher corrosion resistance in high chloride environments. In this work, the microstructure features of a new 17%Cr stainless steel were investigated.

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