Transition metal oxides (TMOs) play an important role in scientific research and
technological advance. Attributing to the excellent physical and chemical properties, they …

Owing to their exceptional mechanical, electronic, and phononic transport properties,
compositionally complex alloys, including high-entropy alloys, represent an important class …

We study electron correlations and their impact on magnetic properties of bcc vanadium by a
combination of density functional and dynamical mean-field theory. The calculated uniform …

We analyze possible ways to calculate magnetic exchange interactions within the density
functional theory plus dynamical mean-field theory (DFT+ DMFT) approach in the …

Molten salts play an important role in various energy-related applications such as high-
temperature heat transfer fluids and reaction media. However, the extreme molten salt …

We study the influence of Coulomb correlations on spectral and magnetic properties of fcc
cobalt using a combination of density functional theory and dynamical mean-field theory …

We have employed one of the well-known many-body techniques, density functional theory
plus dynamical mean-field theory (DFT+ DMFT), to investigate the electronic structure of …

Exploring the intricate interplay between disorder and correlations in compositionally
complex alloys, our study employs resonant and valence band photoemission, optical …

Transition metals Fe, Co, and Ni are the canonical systems for studying the effect of external
perturbations on ferromagnetism. Among these, Ni stands out as it undergoes no structural …