Photoelectron dispersion in metallic and insulating VO2 thin films

A theoretical study on pseudo Mott phase transition of vanadium dioxide

“…15 The larger value of the pseudo-gap is determined by the stronger bonding strength between vanadium–vanadium atoms, so the pseudo-gap with 199 meV corresponds to the weakest V–V chain dimerization. The experimentally measured pseudo-gap (approximately 118 meV 18 ) for the intermediate phase is on the same order of magnitude as our theoretical value. The energy difference Δ E 1 , obtained by subtracting the ground-state energy of intermediate possible configuration from that of its corresponding ΔSCF-excited state, is 22 meV in the A6 configuration as shown in Fig.…”

“…Based on the experimental observation, electron-correlation-driven Mott transition [5][6][7][8][9] and structure-distortion-driven Peierls transition [10][11][12][13][14][15][16] were proposed to understand the MIT. And now increasing studies [17][18][19][20][21][22][23] suggest that both Mott correlation and Peierls distortion cooperatively play an important role in the PT at the same time.…”