Related papers: First-principles quantum corrections for carrier c…
Uniform semiclassical approximations for the number and kinetic-energy densities are derived for many non-interacting fermions in one-dimensional potentials with two turning points. The resulting simple, closed-form expressions contain the…
Quantum corrections to Thomas-Fermi (TF) theory are investigated for noninteracting one-dimensional fermions with known uniform semiclassical approximations to the density and kinetic energy. Their structure is analyzed, and contributions…
The statistical properties of the carrier density profile of graphene in the ground state in the presence particle-particle interaction and random charged impurity in zero gate voltage has been recently obtained by Najafi \textit{et al.}…
First principles approaches have been successful in solving many-body Hamiltonians for real materials to an extent when correlations are weak or moderate. As the electronic correlations become stronger often embedding methods based on first…
The interplay between quantum and thermal fluctuations in the presence of quenched random disorder is a long-standing open theoretical problem which has been made more urgent by advances in modern experimental techniques. The fragility of…
We study the effects of quantum fluctuations on the transport properties of multiband superconductors near a pair-breaking quantum critical point. For this purpose, we consider a minimal model of the quantum phase transition in a system…
Charge layering in the close vicinity of charged interfaces is a well known effect, extensively reported in both experiments and simulations of Room Temperature Ionic Liquids (RTIL) and concentrated aqueous-like electrolytes. The…
Accurate determination of carrier transport properties in two-dimensional (2D) materials is critical for designing high-performance nano-electronic devices and quantum information platforms. While first-principles calculations effectively…
Accurately describing strong electron correlation in complex systems remains a prominent challenge in computational chemistry as near-term quantum algorithms treating total correlation often require prohibitively deep circuits. Here we…
In a two-dimensional electron gas, the electron-electron interaction generally becomes stronger at lower carrier densities and renormalizes the Fermi liquid parameters such as the effective mass of carriers. We combine experiment and theory…
We examine the accuracy of an intrinsically one-dimensional quantum electrodynamics to predict accurately the forces and charges of a three-dimensional system that has a high degree of symmetry and therefore depends effectively only on a…
Accurate treatment of the electronic correlation in inhomogeneous electronic systems, combined with the ability to capture the correlation energy of the homogeneous electron gas, allows to reach high predictive power in the application of…
Complexity in materials often arises from competing interactions at the atomic length scale. One such example are the strongly correlated heavy-fermion materials where the competition between Kondo screening and antiferromagnetic ordering…
We characterize the carrier density profile of the ground state of graphene in the presence of particle-particle interaction and random charged impurity for zero gate voltage. We provide detailed analysis on the resulting spatially…
We numerically analyse the density field of three-dimensional randomly jammed packings of monodisperse soft frictionles spherical particles, paying special attention to fluctuations occurring at large lengthscales. We study in detail the…
First-principles calculations based on density functional theory have been widely used in studies of the structural, thermoelastic, rheological, and electronic properties of earth-forming materials. The exchange-correlation term, however,…
Divergence exponents of the first-order quantum correction of a two-dimensional hard-sphere Bose atoms are obtained by an effective field theory method. The first-order correction to the ground-state energy density with respect to the…
The quantum correction to the conductivity have been studied in two types of 2D heterostructures: with doped quantum well and doped barriers. The consistent analysis shows that in the structures where electrons occupy the states in quantum…
In this work, we present an atomistic first-principles framework for modeling the low-temperature electronic and transport properties of disordered two-dimensional (2D) materials with randomly distributed point defects (impurities). The…
We investigate the distribution of the electron density and the potential in a quantum wire coupled to reservoirs, treating this structure as a unified quantum system and taking into account the Coulomb interaction of electrons. The…