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We have analyzed spectral weight changes in the conduction and the valence band across insulator to metal transition (IMT) in the VO2 thin film using X-ray absorption spectroscopy (XAS) and resonant photoemission spectroscopy (PES). Through temperature dependent XAS and resonant PES measurements we unveil that spectral changes in the d$_{|}$ states (V 3$it{d_{x^2-y^2}}$ orbitals) are directly associated with temperature dependent electrical conductivity. Due to presence of the strong electron-electron correlations among the d$_{|}$ states, across IMT, these states are found to exhibit significant intensity variation compared to insignificant changes in the $pi^{ast}$ and the $sigma^{ast}$ states (which are O 2$it{p}$ hybridized V 3$it{d}$ $e_g^{pi}$ and $e_g^{sigma}$ states) in the conduction band. Experimentally obtained values of the correlation parameter (U$_{dd}$ $sim$ 5.1 eV, intra-atomic V 3$it{d}$ correlations) and crystal field splitting (10 Dq $sim$ 2.5 eV) values are used to simulate the V $it{L_{2,3}}$ edge XAS spectra and an agreement between simulated and experimental spectra also manifests strong correlations. These results unravel that the IMT observed in the VO2 thin film is the Mott-Hubbard insulator-metal transition.
The temperature ($T$) dependent metal-insulator transition (MIT) in VO$_2$ is investigated using bulk sensitive hard x-ray ($sim$ 8 keV) valence band, core level, and V 2$p-3d$ resonant photoemission spectroscopy (PES). The valence band and core leve
We present a theoretical investigation of the electronic structure of rutile (metallic) and M$_1$ and M$_2$ monoclinic (insulating) phases of VO$_2$ employing a fully self-consistent combination of density functional theory and embedded dynamical mea
VO2 is a strongly correlated material, which undergoes a reversible metal insulator transition (MIT) coupled to a structural phase transition upon heating (T= 67{deg} C). Since its discovery the nature of the insulating state has long been debated an
We examine the metal-insulator transition in a half-filled Hubbard model of electrons with random and all-to-all hopping and exchange, and an on-site non-random repulsion, the Hubbard $U$. We argue that recent numerical results of Cha et al. (arXiv:2
Calculations employing the local density approximation combined with static and dynamical mean-field theories (LDA+U and LDA+DMFT) indicate that the metal-insulator transition observed at 32 GPa in paramagnetic LaMnO3 at room temperature is not a Mot