Abstract
The structural and electronic properties of vanadium borides have been obtained from DFT calculations. The calculated value of the enthalpy of formation of C32-VB2 compound is in good agreement with the experimental one. The calculated values of the lattice parameters at T = 0 K agree well with the experimental values. The total and partial electronic densities of states have been computed. Special features of the V electronic partial density of states have been evidenced and correlated to the local environment of the atoms and their charge.
Full Text 
Sign-in/Register to access full text options
Sign-in/Register to access full text options 
Published version (
Free)
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
