V8SiB4 - A new ternary phase in the V-Si-B system

The present study reports on the existence of a new ternary phase, V8SiB4, in the V-Si-B system. The new phase was found in alloys heat-treated at 1400 degrees C for 100 h and 200 h within the Vss-V3Si-V5SiB2 phase field at 1600 degrees C. The crystal structure of V8SiB4 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 V8SiB4, electronic density-of-states (EDOS), phononic density-of-states (PDOS), the chemical bonding and the elastic properties of V8SiB4 were calculated using DFT and compared with the properties of V5SiB2 (T2).

Automated summary

The present study reports the existence of a new ternary phase, V8SiB4, in the V-Si-B system. The phase was discovered through heat treatment at high temperatures and its crystal structure was determined by experimental and theoretical methods. The stability of V8SiB4 was further examined and compared with V5SiB2 (T2).