Abstract
In the present research, the researchers have computationally developed and tested new material TiBeO3. The researchers have determined electronic and structural properties using thermo_pw tool and it has been observed that TiBeO3 has negative band gap and performs as semi-metal with considerably high elastic constant. Thermoelectric properties of TiBeO3 material have been calculated by using Quantum-Espresso software and BoltzTrap package. The thermal conductivity, electrical conductivity, Seebeck coefficient and power factor at various temperature and chemical potential were predicted. The present research is expected to contribute to future researches about TiBeO3 material.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
