Related papers: Effective band-structure in the insulating phase v…
The structural, magnetic, vibrational and electronic properties of single layer aluminum oxide (AlO2) are investigated by performing state-of-the-art first-principles calculations. Total energy optimization and phonon calculations reveal…
Multi-orbital electronic models hosting a non-trivial band-topology in the regime of strong electronic interactions are an ideal playground for exploring a host of complex phenomenology. We consider here a sign-problem-free and…
We present a large-scale numerical study, supplemented by experimental observations, of a quasi-two-dimensional active system of polar rods and spherical beads confined between two horizontal plates and energised by vertical vibration. For…
We introduce (3+1) dimensional models of short-range-interacting electrons that form a strongly correlated many-body state whose low-energy excitations are relativistic neutral fermions coupled to an emergent gauge field, $\text{QED}_{4}$.…
We establish the spectral line shape of orbital excitations created by resonant inelastic X-ray scattering for the model Mott insulator CoO. Improved experimental energy resolution reveals that the line shapes are strikingly different from…
We show how to simulate a model of many molecules with both strong coupling to many vibrational modes and collective coupling to a single photon mode. We do this by combining process tensor matrix product operator methods with a mean-field…
Ir$_{1-x}$Pt$_x$Te$_2$ is an interesting system showing competing phenomenon between structural instability and superconductivity. Due to the large atomic numbers of Ir and Te, the spin-orbital coupling is expected to be strong in the…
In this study, we utilize the many-body expansion (MBE) framework to decompose electronic structures into fragments by incrementing the virtual orbitals. Our work aims to accurately solve the ground and excited state energies of each…
We have investigated the electronic, vibrational, optical, thermal and piezoelectric properties of LiNbO$_3$, LiTaO$_3$ and Li$_2$NbTaO$_6$ using the first-principles calculation based on the density functional theory. It also shows…
We investigate the vortex state in a two-band superconductor with strong intraband and weak interband electronic scattering rates. Coupled Usadel equations are solved numerically and the distributions of the pair potentials and local…
Recent experiments and theory demonstrate that the the ground state properties and chemical reactivity of molecules can be modified inside an optical cavity. The vibrational strong or ultrastrong coupling results in the formation of…
Using ab-initio calculations we reveal the nature of the insulating phase recently found experimentally in monolayer 1T-NbSe$_2$. We find soft phonon modes in a large parts of the Brillouin zone indicating the strong-coupling nature of a…
We match analytic results to numerical calculations to provide a detailed picture of the metal-insulator and topological transitions found in density functional plus cluster dynamical mean-field calculations of pyrochlore iridates. We…
While many features of topological band insulators are commonly discussed at the level of single-particle electron wave functions, such as the gapless Dirac spectrum at their boundary, it remains elusive to develop a {\it hydrodynamic} or…
We have investigated the band structure of the bulk crystal and the (001) surface of the \beta-InTe layered crystal subjected to biaxial stretching in the layer plane. The calculation has been carried out using the full-potential linearized…
Moir\'e transition metal dichalcogenide (TMD) materials provide an ideal playground for studying the combined interplay of strong interactions and band-topology over a range of electronic fillings. Here we investigate the panoply of…
Topological insulators host spin-polarized surface states born out of the energetic inversion of bulk bands driven by the spin-orbit interaction. Here we discover previously unidentified consequences of band-inversion on the surface…
In this letter we demonstrate the possibility to determine the temporal and spectral structure (spectrogram) of a complex light pulse exploiting the ultrafast switching character of a non-thermal photo-induced phase transition. As a proof,…
We study a spinless two-band model at half-filling in the limit of infinite dimensions. The ground state of this model in the non-interacting limit is a band-insulator. We identify transitions to a metal and to a charge-Mott insulator,…
We investigate the ground-state phase diagram of the one-dimensional "ionic" Hubbard model with an alternating periodic potential at half-filling by numerical diagonalization of finite systems with the Lanczos and density matrix…