Related papers: Generalized Kasha's Scheme for Classifying Two-Dim…
We implement a total-energy minimization scheme to allow for relaxation of atomic positions in density functional calculations for two-dimensional (2D) systems using a mixed basis set. The basis functions consist of products of 2D plane…
Based on Brownian Dynamics computer simulations in two dimensions we investigate aggregation scenarios of colloidal particles with directional interactions induced by multiple external fields. To this end we propose a model which allows…
We theoretically describe the charge ordering (CO) metal-insulator transition based on a quasi-one-dimensional extended Hubbard model, and investigate the finite temperature ($T$) properties across the transition temperature, $T_{\rm CO}$.…
The excess adsorption $\Gamma $ in two-dimensional Ising strips $(\infty \times L)$ subject to identical boundary fields, at both one-dimensional surfaces decaying in the orthogonal direction $j$ as $-h_1j^{-p}$, is studied for various…
We investigate the structural and topological properties of hydrophobic homopolymer chains in aqueous solutions using molecular dynamics simulations and circuit topology (CT) analysis. By combining geometric observables, such as radius of…
There are two types of two-photon transitions in molecular aggregates, that is, non-local excitations of two monomers and local double excitations to some higher excited intra-monomer electronic state. As a consequence of the inter-monomer…
We develop a temperature dependent empirical pseudopotential theory to study the electronic and optical properties of self-assembled quantum dots (QDs) at finite temperature. The theory takes the effects of both lattice expansion and…
The DCA$^+$ algortihm was recently introduced to extend the dynamic cluster approximation (DCA) with a continuous lattice self-energy in order to achieve better convergence with cluster size. Here we extend the DCA$^+$ algorithm to the…
Results from a large sample of hydrodynamical/N-body simulations of galaxy clusters in a LCDM cosmology are used to simulate cluster X-ray observations as expected from Chandra observations. The physical modeling of the gas includes…
We analyze the many-particle correlations that affect the optical properties of two-dimensional semiconductors. These correlations manifest themselves through the specific optical resonances such as excitons, trions, etc. Starting from the…
Low-dimensional excitonic materials have inspired much interest owing to their novel physical and technological prospects. In particular, those with strong in-plane anisotropy are among the most intriguing but short of general analyses. We…
The nonlinear absorption of two-dimensional molybdenum disulfide was analyzed using the Z-scan technique. Sample size corresponding to a number of layer determines the band gap in the materials which play the key role for nonlinearity.…
Based on the quantum kinetic equation for electrons, we theoretically study the quantum multi-photon non-linear absorption of a strong electromagnetic wave (EMW) in two-dimensional graphene. Two cases of the electron scattering mechanism…
We calculate, as a function of temperature and density, the electron-electron interaction induced quasiparticle effective mass renormalization in 2D electron systems within the leading-order dynamically screened Coulomb interaction…
We investigate phase-dependent electronic and excitonic phenomena in monolayer Y2TeO2 MOenes in the 1T and 2H polymorphs using first-principles theory and an effective many-body framework. Phonon spectra and elastic stability criteria…
Two-dimensional (2D) materials exhibit a wide range of remarkable phenomena, many of which owe their existence to the relativistic spin-orbit coupling (SOC) effects. To understand and predict properties of materials containing heavy…
Two-pulse correlation experiments performed using pulses of different intensities on Pd(111) with different CO coverages showed that the CO photodesorption probability depends on whether the strong or the weak pulse arrives first to the…
Within the two-band model of superconductivity, we study the dependence of the critical temperature Tc and of the isotope exponent alpha in the proximity to an electronic topological transition (ETT). The ETT is associated with a 3D-2D…
There are conflicting predictions and reports on the character of the exciton Mott transition (EMT) in monolayer transition metal dichalcogenides. It could be either a discontinuous or a continuous transition from the excitonic to the…
We report first thermodynamic measurements of the temperature derivative of chemical potential (d{\mu}/dT) in two-dimensional (2D) electron systems. In order to test the technique we have chosen Schottky gated GaAs/AlGaAs heterojunctions…