Related papers: Prediction of the atomistic Hubbard U interaction …
We investigate the metal-insulator transition of the one-dimensional SU(N) Hubbard model for repulsive interaction. Using the bosonization approach a Mott transition in the charge sector at half-filling (k_F=\pi/Na_0) is conjectured for N >…
The world of 2D materials is rapidly expanding with new discoveries of stackable and twistable layered systems composed of lattices of different symmetries, orbital character, and structural motifs. Often, however, it is not clear a priori…
Engineering effective electronic parameters is a major focus in condensed matter physics. Their dynamical modulation opens the possibility of creating and controlling physical properties in systems driven out of equilibrium. In this work,…
An essential ingredient in many model Hamiltonians, such as the Hubbard model, is the effective electron-electron interaction $U$, which enters as matrix elements in some localized basis. These matrix elements provide the necessary…
We calculate the strength of the effective onsite Coulomb interaction (Hubbard $U$) in two-dimensional (2D) transition-metal (TM) dihalides MX$_2$ and trihalides MX$_3$ (M=Ti, V, Cr, Mn, Fe, Co, Ni; X=Cl, Br, I) from first principles using…
In this study, we present a systematic comparison of various approaches within the constrained random-phase approximation (cRPA) for calculating the Coulomb interaction parameter $U$. While defining the correlated space is straightforward…
Two-dimensional multi-layer materials with an induced moir\'e pattern, either due to strain or relative twist between layers, provide a versatile platform for exploring strongly correlated and topological electronic phenomena. While these…
Hamiltonian parameter estimation is crucial in condensed matter physics, but time and cost consuming in terms of resources used. With advances in observation techniques, high-resolution images with more detailed information are obtained,…
Moir\'e superlattices have emerged as a versatile platform for exploring a wide range of ex- otic quantum phenomena. Unlike angstrom-scale materials, the moir\'e length-scale system contains a large number of atoms, and its electronic…
Correlated states emerge in low-dimensional systems owing to enhanced Coulomb interactions. Elucidating these states requires atomic scale characterization and delicate control capabilities. In this study, spectroscopic imaging-scanning…
A new method for estimating the parameter ensuring the fulfillment of the Mermin-Wagner theorem in the strong coupling diagram technique (SCDT) for the two-dimensional Hubbard model is suggested. With the precise parameter value, calculated…
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 value. In practice, one usually relies on empirical…
Modern scanning probe techniques, like scanning tunneling microscopy (STM), provide access to a large amount of data encoding the underlying physics of quantum matter. In this work, we analyze how convolutional neural networks (CNN) can be…
We develop a two stage renormalization group which connects the continuum Hamiltonian for twisted bilayer graphene at length scales shorter than the moire superlattice period to the Hamiltonian for the active narrow bands only which is…
The H\"uckel Hamiltonian is an incredibly simple tight-binding model famed for its ability to capture qualitative physics phenomena arising from electron interactions in molecules and materials. Part of its simplicity arises from using only…
Twisted bilayer graphene is an exciting platform for exploring correlated quantum phases, extremely tunable with respect to both the single-particle bands and the interaction profile of electrons. Here, we investigate the phase diagram of…
A scanning tunneling microscope (STM) has been equipped with a nanoscale force sensor and signal transducer composed of a single D2 molecule that is confined in the STM junction. The uncalibrated sensor is used to obtain ultra-high…
The Hubbard model is a paradigmatic model of strongly correlated quantum matter, thus making it desirable to investigate with quantum simulators such as ultracold atomic gases. Here, we consider the problem of two atoms interacting in a…
We set up and parametrize a Hubbard model for interacting quantum dots in bilayer graphene and study double dots as the smallest multi-dot system. We demonstrate the tunability of the spin and valley multiplets, Hubbard parameters, and…
Density-functional theory is widely used to predict the physical properties of materials. However, it usually fails for strongly correlated materials. A popular solution is to use the Hubbard corrections to treat strongly correlated…