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• W4295337679 abstract "The present study reports on the existence of a new ternary phase, V 8 SiB 4 , in the V–Si–B system. The new phase was found in alloys heat-treated at 1400 °C for 100 h and 200 h within the V ss –V 3 Si–V 5 SiB 2 phase field at 1600 °C. The crystal structure of V 8 SiB 4 was determined by combining energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD) and density functional theory (DFT) calculations. To further examine the stability of V 8 SiB 4 , electronic density-of-states (EDOS), phononic density-of-states (PDOS), the chemical bonding and the elastic properties of V 8 SiB 4 were calculated using DFT and compared with the properties of V 5 SiB 2 (T2). • A new ternary phase, V 8 SiB 4 , was found in the V ss -V 3 Si–V 5 SiB 2 phase region at 1600 °C after heat treatment at 1400 °C for 100 h and 200 h. • By combining EDS, XRD and DFT calculations, we determined the crystal structure of V 8 SiB 4 , which may represent a new crystallographic prototype. • The stability of V 8 SiB 4 at 0 K was examined using DFT." @default.
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• W4295337679 date "2022-12-01" @default.
• W4295337679 modified "2023-10-16" @default.
• W4295337679 title "V8SiB4 — A new ternary phase in the V–Si–B system" @default.
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• W4295337679 doi "https://doi.org/10.1016/j.intermet.2022.107691" @default.
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