Unraveling the role of V-V dimer on the vibrational properties of VO${}_2$ by first-principles simulations and Raman spectroscopic analysis

Wasim Raja Mondal, Egor Evlyukhin, Sebastian A. Howard +5

We investigate the vibrational properties of VO2, particularly the low temperature M1 phase by first-principles calculations using the density functional theory as well as Raman sp…