Related papers: Tight-binding and density-functional study of the …
Raman spectroscopy is a valuable characterization tool for two-dimensional materials. Starting from model Hamiltonians for Chern insulators and magnetized monolayers of transition metal dichalcogenides, we theoretically predict two…
We present an accurate ab initio tight-binding model, capable of describing the dynamics of Dirac points in tunable honeycomb optical lattices following a recent experimental realization [L. Tarruell et al., Nature 483, 302 (2012)]. Our…
Two-magnon Raman scattering provides important information about electronic correlations in the insulating parent compounds of high-$T_c$ materials. Recent experiments have shown a strong dependence of the Raman signal in $B_{1g}$ geometry…
We introduce a machine learning prediction workflow to study the impact of defects on the Raman response of 2D materials. By combining the use of machine-learned interatomic potentials, the Raman-active $\Gamma$-weighted density of states…
We present ab initio results for the electron-phonon interaction of the \Gamma-point phonons in the tetragonal high-temperature phase of La2CuO4. Eigenfrequencies and eigenvectors for the symmetry-allowed phonon modes are calculated with…
The vibrational and electronic properties of 2-dimensinal (2D) materials can be efficiently tuned by external strain due to their good stretchability. Resonant Raman spectroscopy is a versatile tool to study the physics of phonons,…
Based on the fact that both hardness and vibrational Raman spectrum depend on the intrinsic property of chemical bonds, we propose a new theoretical model for predicting hardness of a covalent crystal. The quantitative relationship between…
Some important features of the graphene physics can be reproduced by loading ultracold fermionic atoms in a two-dimensional optical lattice with honeycomb symmetry and we address here its experimental feasibility. We analyze in great…
We show how strongly interacting two-dimensional Dirac fermions can be realized with ultracold atoms in a two-dimensional optical square lattice with an experimentally realistic, inherent gauge field, which breaks time-reversal and…
We study a two-component dark matter model consisting of a Dirac fermion and a complex scalar charged under new U(1) gauge group in the hidden sector. The dark fermion plays the dominant component of dark matter which explains the measured…
We propose a theory of two-magnon Raman scattering from the insulating parent compounds of high-T$_c$ superconductors, which contains information not only on magnetism, but also on the electronic properties in these materials. We use spin…
The discovery of graphene makes it highly desirable to seek new two-dimensional materials. Through first-principles investigation, we predict two-dimensional materials of ReN$_{2}$: honeycomb and tetragonal structures. The phonon spectra…
The three-dimensional Dirac semimetal is distinct from its two-dimensional counterpart due to its dimensionality and symmetry. Here, we observe that molecule-based quasi-two-dimensional Dirac fermion system, $\alpha$-(BEDT-TTF)$_2$I$_3$,…
We develop a tight-binding model description of semi-Dirac electronic spectra, with highly anisotropic dispersion around point Fermi surfaces, recently discovered in electronic structure calculations of VO$_2$/TiO$_2$ nano-heterostructures.…
The spontaneous generation of charge-density-wave order in a Dirac fermion system via the natural mechanism of electron-phonon coupling is studied in the framework of the Holstein model on the honeycomb lattice. Using two independent and…
The transition into a strongly-correlated regime of 3 fermions trapped in a one-dimensional harmonic potential is investigated. This interesting, but little-studied system, allows us to identify characteristic features of the regime, some…
Raman spectroscopy is a widely used, powerful, and nondestructive tool for studying the vibrational properties of bulk and low-dimensional materials. Raman spectra can be simulated using first-principles methods, but due to the high…
We investigate the pressure effect on the layered Dirac fermion system, which is realized in quasi-two-dimensional organic compound {\alpha}-(BEDT-TTF)2I3. The trajectory of the contact points is investigated using the tight-binding model…
Understanding the coupling between lattice vibrations and magnetic order is crucial for controlling properties of two-dimensional magnetic materials. Here, we investigate the vibrational properties of bulk and thick-flake CrCl$_\textrm{3}$…
We calculate the phonon-dispersion relations of several two-dimensional materials and diamond using the density-functional based tight-binding approach (DFTB). Our goal is to verify if this numerically efficient method provides sufficiently…