The wide tunability of strongly correlated transition metal (TM) oxides stems from their
complex electronic properties and the coupled degrees of freedom. Among the perovskite …

To explore the formation of noncollinear magnetic configurations in materials with strongly
correlated electrons, we derive a noncollinear LSDA+ U model involving only one parameter …

The transition temperature T c of unconventional superconductivity is often tunable. For a
monolayer of FeSe, for example, the sweet spot is uniquely bound to titanium-oxide …

We study the origin of in-plane ferromagnetism in monolayer VSe 2 focusing on the effect of
charge do** and mechanical strain. We start from an anisotropic spin Hamiltonian …

We investigate the real-space profile of effective Coulomb interactions in correlated kagome
materials. By particularizing to KV 3 Sb 5, Co 3 Sn 2 S 2, FeSn, and Ni 3 In, we analyze …

We present a systematic investigation of the role and importance of excitonic effects on the
optical properties of transitions metal oxide perovskites. A representative set of 14 …

The wide variety of complex physical behavior exhibited in transition metal oxides,
particularly the perovskites ABO 3, makes them a material family of interest in many research …

We calculate the screened electron-electron interaction for the charge-disproportionated
insulator CaFeO 3 using the constrained random-phase approximation (cRPA). While in …

Confining electromagnetic fields inside an optical cavity can enhance the light-matter
coupling between quantum materials embedded inside the cavity and the confined photon …

Despite the importance of the electron correlation in the first-principles description of the Li-
ion cathode materials, the Coulomb interaction parameter U is often treated as an ad hoc …