Related papers: Interface controlled electronic charge inhomogenei…
A simple effective model of charge ordered insulators is studied. The tight binding Hamiltonian consists of the effective on-site interaction U and the intersite density-density interactions Wij (both: nearest-neighbour and…
The collective behavior of correlated electrons in the VO$_2-$interface layer of LaVO$_3$/SrTiO$_3$ heterostructure is studied within a quarter-filled $t_{2g}$-orbital Hubbard model on a square lattice. We argue that the ground state is…
Strongly correlated electron materials are often characterized by competition and interplay of multiple quantum states. For example, in high-temperature cuprate superconductors unconventional superconductivity, spin- and charge-density wave…
By performing first-principles calculations on four capacitor structures based on BaTiO3 and PbTiO3, we determine the intrinsic interfacial effects that are responsible for the destabilization of the polar state in thin-film ferroelectric…
The combined effect of bulk and interface electron-phonon couplings on the transport properties is investigated in a model for organic semiconductors gated with polarizable dielectrics. While the bulk electron-phonon interaction affects the…
Spin-triplet superconductivity is a key platform for topological quantum computing, yet its experimental realization and control in solid-state materials remain a significant challenge. For this purpose, we propose an ultrafast optical…
Battery interfaces critically influence lithium-metal battery performance through their role in ion diffusion and dendrite formation. However, structural characterization of these interfaces has remained challenging due to limitations in…
In this work, we study the synergistic correlated states in two distinct types of interacting electronic systems coupled by interlayer Coulomb interactions. We propose that this scenario can be realized in a type of Coulomb-coupled…
Interest in layered two dimensional materials, particularly stacked heterostructures of transition metal dichalcogenides, has led to the need for a better understanding of the structural and electronic changes induced by stacking. Here, we…
We present a theoretical study of a model heterostructure for a Mott-insulator sandwiched between two band insulators, such as SrTiO3/LaTiO3. Particular emphasis is given on the interplay between magnetism and inhomogeneous charge…
We study theoretically the excitonic nonlinearity in hybrid organic-inorganic Ruddlesden-Popper perovskite thin films. The composite layered structure of these materials allows for flexible modulation of their excitonic response between the…
Electrostatic polarization is important in many nano-/micro-scale physical systems such as colloidal suspensions, biopolymers, and nanomaterials assembly. The calculation of polarization potential requires an efficient algorithm for solving…
Hydrogen-bond networks govern molecular structure and function across chemistry, biology and materials science, yet their deterministic control at the atomic scale remains a central challenge (1-9).Here, we directly visualize how an…
Vertically stacked atomic layers from different layered crystals can be held together by van der Waals forces, which can be used for building novel heterostructures, offering a platform for developing a new generation of atomically thin,…
Using {\it ab initio} approaches for extended Hubbard interactions coupled to phonons, we reveal that the intersite Coulomb interaction plays important roles in determining various distinctive phases of the paradigmatic charge ordered…
Hybrid organic-inorganic halide perovskites have shown remarkable optoelectronic properties (1-3), believed to originate from correlated motion of charge carriers and the polar lattice forming large polarons (4-7). Few experimental…
We examine charge correlations and instabilities in the pseudogap phase of high-$T_c$ cuprates modeled by $d$-density wave ordering. The latter has a gap symmetry similar to the one observed in the $d$-wave superconductor. We use $t$-$J$…
We propose a minimal tight-binding model for the electronic interface layer of the LaAlO$_3$/SrTiO$_3$ heterostructure with oxygen vacancies. In this model, the effective carriers are subject to oxygen vacancy induced magnetic impurities.…
Interfaces can differ from their parent compounds in terms of charge, spin, and orbital orders and are fertile ground for emergent phenomena, strongly correlated physics, and device applications. Here, we discover that ferroelectric order…
Charge-density wave order is now understood to be a widespread feature of underdoped cuprate high-temperature superconductors, although its origins remain unclear. While experiments suggest that the charge-ordering wavevector is determined…