Влияние углеродных нанотрубок на термоэлектрические свойства сплавов Гейслера p- и n-типа

This paper presents the results of studying the effect of carbon nanotubes on thermoelectric properties of p-type (Nb0.6Ta0.4)0.8Ti0.2FeSb and n-type Ti0.5Zr0.25Hf0.25NiSn half Heusler alloys. The experimental data obtained indicate a strong effect of the carbon nanotubes on electrical conductivity and Seebeck coefficient of the n-type compound, while the changes in these properties in the p-type compound were significantly less. It is suggested that a possible reason for this difference is the formation of a conducting cluster of carbon nanotubes in the sample of the n-type Heusler alloy.

First-principles investigations of the half-metallic ferromagnetic LaCoTiIn equiatomic quaternary Heusler alloy for spintronics

We have evaluated the structural and mechanical stability, electronic structure, total spin magnetic moment, and Curie temperature of LaCoTiIn Equiatomic Quaternary Heusler Alloy (EQHA) using first-principles studies. The Generalized Gradient Approximation (GGA) and GGA+U schemes have been used as exchange-correlation functional for the above calculations. From the ground state calculation, LaCoTiIn EQHA with a Type-III structure in the ferromagnetic (FM) state is found to be stable. The electronic structure of LaCoTiIn EQHA depicts half-metallic behavior which has metallic overlap in the spin up ([Formula: see text] channel and a semiconductor band gap in the other channel. The spin–orbit coupling of LaCoTiIn has a great influence on the band gap of the material. The computed band gap values for the spin down ([Formula: see text] channel are 0.480 eV and 0.606 eV by using the GGA and GGA+U schemes. The total spin magnetic moment is 1 [Formula: see text], according to the Slater–Pauling rule, [Formula: see text] = ([Formula: see text] - 18) [Formula: see text]. These results obtained can be used as a valuable reference for future research, or they will be used to further motivate the experimental synthesis of the corresponding alloy.