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Modeling of the properties of the semiconductor solid solution Lu1-xVxNiSb in the presence of magnetic ordering; [Моделювання властивостей напівпровідникового твердого розчину Lu1-xVxNiSb за наявності магнітного упорядкування]
2023, Romaka, V.V., Romaka, V.A., Stadnyk, Yu., Romaka, L., Horyn, A., Pashkevych, V., Haraniuk, P.
Modeling of the thermodynamic, structural, energetic and magnetic properties of the semiconductor solid solution Lu1-xVxNiSb was carried out under the condition of the presence of a magnetic moment on the V atoms and the occurrence of spontaneous magnetization. It is shown that the change in the unit cell parameter a(x) and the mixing enthalpy ΔHmix(х) depends little on the presence or absence of spontaneous magnetization. Modeling of the distribution of the density of electronic states DOS in the presence of a magnetic moment on V atoms revealed the splitting of energy states with spins up and down while preserving the band gap εg of Lu1-xVxNiSb. The relationship between the concentration of magnetic V atoms in Lu1-xVxNiSb and the Curie temperature ТС, when spontaneous magnetization is destroyed and the substance becomes paramagnetic, is established. The solid solution semiconductor Lu1-xVxNiSb, provided spontaneous magnetization is present, can be considered as a promising magnetocaloric.
Phase equilibrium diagram of Y-Cu-Sb system at 870 K
2023, Romaka, L., Stadnyk, Yu., Romaka, V.V., Zelinskiy, A., Klyzub, P., Horyn, A.
The interaction of the components in the Y-Cu-Sb ternary system was investigated using the methods of X-ray phase analysis, microstructure, and energy-dispersive X-ray spectroscopy in the whole concentration range at 870 K. At the temperature of investigation Y-Cu-Sb system is characterized by the formation of three ternary compounds: Y3Cu22Sb9 (Dy3Cu20+xSb11-x structure type, space group F-43m, a=1.6614(3) nm), Y3Cu3Sb4 (Y3Au3Sb4 structure type, space group I-43d, а = 0.95357(5) nm), YCuSb2 (HfCuSi2 structure type, space group P4/nmm, a = 0.42580(1), c = 0.98932(3) nm). The solubility of copper in the binary compound YSb (NaCl structure type) extends up to 8 at. %.