Related papers: Three-orbital continuous model for $1H$-type metal…
We review the electronic structure of nickelate superconductors with and without effects of electronic correlations. As a minimal model we identify the one-band Hubbard model for the Ni 3$d_{x^2-y^2}$ orbital plus a pocket around the…
Recent angle-resolved photoemission measurements on La$_3$Ni$_2$O$_7$ have challenged the density-functional-theory-based picture of three Fermi surfaces by revealing that the $d_{z^2}$-derived $\gamma$ band can reside below the Fermi…
The possibility of realizing pair density wave (PDW) phases, in which Cooper pairs have a finite momentum, presents an interesting challenge that has been studied in a wide variety of systems. In conventional superconductors, this is only…
We study in-plane lateral heterostructures of commensurate transition-metal dichalcogenides, such as MoS$_{2}$-WS$_{2}$ and MoSe$_{2}$-WSe$_{2}$, and find interfacial and edge states that are highly localized to these regions of the…
Semiconducting transition metal dichalcogenides (TMDs) are promising for flexible high-specific-power photovoltaics due to their ultrahigh optical absorption coefficients, desirable band gaps and self-passivated surfaces. However,…
Misfit layer compounds (MLCs) are a versatile platform for exploring the electronic phase diagram of two dimensional (2D) materials beyond the limits of conventional gating techniques. This work demonstrates the precise tunability of…
We show that geometric frustration and strong correlation in the triangular lattice Hubbard model lead a rich and novel phase structure of $\sqrt{3}\times\sqrt{3}$ spin-charge textured electronic states over a wide region of electron doping…
A new type of disorder-driven electronic percolation transition is found for two-dimensional electron gas (2DEG), based on a quantum cellular automaton model. This transition is shown to be accompanied with a metal-insulator transition, as…
The electronic structure of the molecular compound (TTM-TTP)I_3, which exhibits a peculiar intra-molecular charge ordering, has been studied using multi-configuration ab initio calculations. First we derive an effective Hubbard-type model…
Electronic states of single-component molecular metals M(tmdt)2 (M = Ni, Au) are studied theoretically. We construct an effective three-band Hubbard model for each material by numerical fitting to first-principles band calculations, while…
Conventional electronics is founded on a paradigm where shaping perfect electrical elements is done at the fabrication plant, so as to make devices and systems identical, "eternally immutable". In nature, morphogenic evolutions are observed…
Spatially inhomogeneous electronic states are expected to be key ingredients for the emergence of superconducting phases in quantum materials hosting charge-density-waves (CDWs). Prototypical materials are transition-metal dichalcogenides…
In modern condensed matter theory, phases of electronic matter--such as metals and insulators-are fundamentally distinguished by the presence or absence of charge-carrying quasiparticles or excitations near the Fermi surface at low…
We present a detailed calculation of the linear and nonlinear optical response of four types of monolayer Two-Dimensional (2D) Transition-Metal Dichalcogenides (TMDCs), having the formula $\textrm{MX}_2$ with M=Mo,W and X=S,Se. The…
Topological insulators have been studied intensively over the last decades. Among these materials, three-dimensional (3D) zirconium pentatelluride (ZrTe$_5$) stands out as one of the most intriguing for both theoretical and experimental…
Non-equilibrium control of electronic properties in condensed matter systems can result in novel phenomena. In this work, we provide a novel non-equilibrium route to realize half-metallic phases. We explore the periodically driven Hubbard…
Layered Nickelates have gained intensive attention as potential high-temperature superconductors, showing similarities and subtle differences to well-known Cuprates. This study introduces a modelling framework to analyze the tunability of…
We report the electronic structure and related properties of the superconductor Ta2PdSe5 as determined from density functional calculations. The Fermi surface has two disconnected sheets, both derived from bands of primarily chalcogenide p…
The quasiparticles in the normal state of cuprate superconductors have been shown to behave universally as a 3-dimensional Fermi liquid. Because of interactions and the presence of the Fermi surfaces (or Fermi energies), the quasiparticle…
We propose a quantum dimer model for the metallic state of the hole-doped cuprates at low hole density, $p$. The Hilbert space is spanned by spinless, neutral, bosonic dimers and spin $S=1/2$, charge $+e$ fermionic dimers. The model…