Solid State Phenomena Vol. 170

Abstract: The complex study of the thermoelectric properties in solid solutions between compounds Mg2X (X=Si, Ge, Sn) was accomplished. Analysis of the features of band structure, thermal conductivity and electrical properties in the wide range of temperature and carrier concentration has shown that the most effective thermoelectric can be achieved in the Mg2Si-Mg2Sn solid solution. Energy spectrum and carrier concentration optimization, and, also, lattice thermal conductivity minimization allowed to establish the most effective compounds for the thermoelectrics of n- and p- type. Thermoelectrics with the maximum dimensionless figure of merit of more than 1.2 and average ZT0.9 (in the temperature range 300-800K) were obtained with developed synthesis and doping techniques. These materials are cheap, wide spread and environment friendly, have non-toxic initial components. It is very favorable for practical application.

Abstract: Perturbed Angular Correlation (PAC) measurements were performed at room temperature on samples of Hf7Ni10 and of Hf7Ni10 combined with TiV0.8Cr1.2, and at temperatures in the range from 17 K to 350 K in a concentrated hydride of the combined alloy. The PAC results show that the Hf7Ni10 intergranular phase becomes amorphous in the combination process. The results for the hydride composite show in the Hf7Ni10 phase the formation of a stable interstitial hydrogen state below 100 K and a smooth rearrangement of the hydrogen atoms position above 100 K,corresponding to a slow diffusion movemnet of a short-range nature. A second phase transition is observed at around 300 K, presumably to aphase precursor of the hydrogen desorption of the hydride.

Abstract: Mg/TM thin films are objects of interest as hydrogen storage materials due to their expected interesting thermodynamic and hydrogen sorption kinetic properties. Here we report on the results of ab initio calculation on the stability of Mgn/Ti and Mgn/Nbm thin films.

Abstract: Occurrence of phase transitions in TixVyCrz-H systems was analyzed versus temperature. Hydrogen evacuates from the hydrogenated compounds via two main steps. The 1st step corresponds to the destabilization of the fcc hydrogenated lattice leading to a fcc → bcc martensitic type transformation. The 2nd step occurs according to the decomposition of the resulting hydride via evacuation of hydrogen from the bcc lattice. Both the kinetics and temperature of 1st and 2nd step transformations depend on the composition of the starting TixVyCrz alloys.