The structure‐driven properties of vanadium oxide have inspired enormous developments in
the last decades, especially as a smart material for energy, sensors, and optoelectronics …

Advances in the synthesis, growth, and characterization of complex transition metal oxides
coupled with new experimental techniques in ultrafast optical spectroscopy have ushered in …

The WIEN2k program is based on the augmented plane wave plus local orbitals (APW+ lo)
method to solve the Kohn–Sham equations of density functional theory. The APW+ lo …

We have studied the impact of nonlocal electronic correlations at all length scales on the
Mott-Hubbard metal-insulator transition in the unfrustrated two-dimensional Hubbard model …

We present a novel scheme for an unbiased, nonperturbative treatment of strongly
correlated fermions. The proposed approach combines two of the most successful many …

Vanadium sesquioxide (V 2 O 3) is an archetypal Mott insulator in which the atomic positions
and electron correlations change as temperature, pressure, and do** are varied, giving …

The diverse and fascinating properties of transition metal oxides stem from the strongly
correlated electronic degrees of freedom; the scientific challenge and range of possible …

The localization of charge carriers by electronic repulsion was suggested by Mott in the
1930s to explain the insulating state observed in supposedly metallic NiO. The Mott metal …

Hund metals are multi-orbital systems with moderate Coulomb interaction, U, among
charges and sizeable Hund's rule coupling, J (< U), that aligns the spins in different orbitals …

We consider a minimal model to investigate the metal-insulator transition in VO 2. We adopt
a Hubbard model with two orbitals per unit cell, which captures the competition between …