Related papers: Correlation-Driven Charge Order at a Mott Insulato…
Charge transport through metal-Mott-insulator interfaces is studied and compared with that through metal-band-insulator interfaces. For band insulators, rectification has been known to occur owing to a Schottky barrier, which is produced by…
The issue of the net charge at insulating oxide interfaces is shortly reviewed with the ambition of dispelling myths of such charges being affected by covalency and related charge density effects. For electrostatic analysis purposes, the…
The magnetism of Kitaev materials has been widely studied, but their charge properties and the coupling to other degrees of freedom are less known. Here we investigate the charge states of $\alpha$-RuCl$_3$, a promising Kitaev quantum spin…
We investigate correlation physics in high-density, two-dimensional electron liquids that reside in narrow SrTiO3 quantum wells. The quantum wells are remotely doped via an interfacial polar discontinuity and the three-dimensional (3D)…
Caviglia et al. [Nature (London) 456, 624 (2008)] have found that the superconducting LaAlO_3 / SrTiO_3 interface can be gate modulated. A central issue is to determine the principal effect of the applied electric field. Using…
A heterostructure of a semi-infinite metal and a Mott insulator is considered. It is supposed that both materials have an identical lattice spacing and hopping integrals and differ in the Hubbard repulsion which is negligible in the metal…
We theoretically study the superconducting properties of multi-band two-dimensional transition metal oxide superconductors by analyzing not only the role played by conventional singlet pairings, but also by the triplet order parameters,…
The electronic structure of the monoclinic structure of Fe$_3$O$_4$ is studied using both the local density approximation (LDA) and the LDA+$U$. The LDA gives only a small charge disproportionation, thus excluding that the structural…
We derive the effective charge- and current-density operators for the strong-coupling limit of a single-band Mott insulator in the presence of spin-orbit coupling and show that the spin-orbit contribution to the effective charge density…
We investigate the electronic properties of the LaAlO3/SrTiO3 interface using density functional theory. In contrast to previous studies, which relied on (semi-)local functionals and the GGA+U method, we here use a recently developed hybrid…
At interfaces between conventional materials, band bending and alignment are classically controlled by differences in electrochemical potential. Applying this concept to oxides in which interfaces can be polar and cations may adopt a mixed…
The role of electronic correlation effects for a realistic description of the electronic properties of LaAlO3/SrTiO3 heterostructures as covered by the on-site Coulomb repulsion within the GGA+U approach is investigated. Performing a…
We study the photoinduced ultrafast dynamics in relativistic Mott insulators, i.e., Mott insulators with strong spin-orbit coupling. For this purpose, we consider a minimal one-band Hubbard model on lattices with square and triangular…
We provide a complete and detailed characterization of the temperature-dependent response to ac electrical fields of LaTiO3, a Mott-Hubbard insulator close to the metal-insulator transition. We present combined dc, broadband dielectric,…
Electronic structure of NdNiO3 and YNiO3 are calculated by using LSDA+U method with rotational invariance. No orbital order on Ni sites is observed in both systems but different charge orderings. In a small distorting system NdNiO3, all Ni…
The strong correlation effects on topological insulator are studied in a two-sublattice system with an onsite single-particle energy difference $\Delta$ between two sublattices. At $\Delta=0$, increasing the onsite interaction strength $U$…
Tunable spin-orbit interaction (SOI) is an important feature for future spin-based devices. In the presence of a magnetic field, SOI induces an asymmetry in the energy bands, which can produce non-linear transport effects ($V\sim I^2$).…
Using the recently developed N-th order muffin-tin orbital-based downfolding technique in combination with the Dynamical Mean Field theory, we investigate the electronic properties of the much discussed Mott insulator TiOCl in the…
Using interlayer interaction to control functional heterostructures with atomic-scale designs has become one of the most effective interface-engineering strategies nowadays. Here, we demonstrate the effect of a crystalline LaFeO3 buffer…
The complex oxide heterostructures such as LaAlO3/SrTiO3 (LAO/STO) interface are paradigmatic platforms to explore emerging multi-degrees of freedom coupling and the associated exotic phenomena. In this study, we reveal the effects of…