Anomalous lattice behavior of vanadium pentaoxide (V2O5): X-ray diffraction, inelastic neutron scattering and ab initio lattice dynamics

作者：Singh Baltej; Gupta Mayanak Kumar; Mishra Sanjay Kumar; Mittal Ranjan; Sastry P U; Rols Stephane; Chaplot Samrath Lal

来源：Physical Chemistry Chemical Physics, 2017, 19(27): 17967-17984.

DOI：10.1039/c7cp01904a

van der Waals and Hubbard interactions are found to play an important role in the structure and dynamics of α-V2O5.