Related papers: Efficient ab initio calculations of bound and cont…
The optical absorption spectrum of the carbon (4,2) nanotube is computed using an ab-initio many-body approach which takes into account excitonic effects. We develop a new method involving a local basis set which is symmetric with respect…
I present a fully abinitio scheme to model transient spectroscopy signals in presence of strongly bound excitons. Using LiF as a prototype material, I show that the scheme is able to capture the exciton signature both in time-resolved ARPES…
Ab initio based accurate simulation of phonon-assisted optical spectra of semiconductors at finite temperatures remains a formidable challenge, as it requires large supercells for phonon sampling and computationally expensive high-accuracy…
In this article, we use a many-body approach to study the absorption spectra of electron-doped two-dimensional semiconductors. Optical absorption is modeled by a many-body scattering Hamiltonian which describes an exciton immersed in a…
Ab initio techniques for studying the optical and vibrational properties of materials are well-established, but only a few recent studies have focused on the interaction between excitons and atomic vibrations. In this paper, we revisit the…
In this series of lectures we present the universal method based on the use of the functional integrals to derive the bound state equations for different two-body systems in elementary particle physics as well as in condensed matter theory:…
We propose a new approximation for the cyclo-synchrotron emissivity of a single electron. In the second part of this work, we discuss a simple application for our approximation, and investigate the heating of electrons through the…
We report on the use of the adaptively compressed exchange (ACE) operator to accelerate many-body perturbation theory (MBPT) calculations, including G$_0$W$_0$ and the Bethe Salpeter equation (BSE), for hybrid density functional theory…
We study the equivalence of four different approaches to calculate the excitonic linear and nonlinear optical response of multiband semiconductors. These four methods derive from two choices of gauge, i.e. length and velocity gauges, and…
We compare first-principle band gaps and optical absorption spectra of single- and double-layer fluorographene with bulk graphite fluoride. The electronic properties are calculated using the many-body GW approximation and the optical…
The nonlocal correlation mechanism between excitonic pairs is considered for a two dimensional exciton system. On the base of the unitary decomposition of the usual electron operator, we include the electron phase degrees of freedom into…
We investigate the structure of the instantaneous Bethe-Salpeter equation for \(q\bar{q}\)-bound states in the general case of unequal quark masses and develop a numerical scheme for the calculation of mass spectra and Bethe-Salpeter…
We present a method aimed at sampling charge density fluctuations in Coulomb systems. The derivation follows from a functional integral representation of the partition function in terms of charge density fluctuations. Starting from the…
We suggest indirect excitons in 2D semiconductor heterostructures as a platform for realization of a bosonic analog of the Bardeen-Cooper-Schrieffer superconductor. The quantum phase transition to a biexcitonic gapped state can be…
Linear and non-linear spectroscopies are powerful tools used to investigate the energetics and dynamics of electronic excited states of both molecules and crystals. While highly accurate \emph{ab initio} calculations of molecular spectra…
The most accurate theoretical method to describe excitons is the solution of the Bethe-Salpeter equation in the GW approximation (GW-BSE). However, because of its computation cost, time-dependent density functional theory (TDDFT) is…
Time-dependent density functional theory (TDDFT) has been applied to the calculation of absorption spectra for two-dimensional atomic layer materials. We reveal that the character of the first bright exciton state of bi-layer hexagonal…
This work introduces a unified emulation framework for studying continuum physics in finite quantum systems. Using a reduced basis method, we construct powerful emulators for the inhomogeneous Schr\"{o}dinger equation that operate in a…
We report numerical and analytical studies of the donor-acceptor recombination in compensated semiconductors. Our calculations take into account random electric fields of charged impurities which are important in non zero compensation case.…
We study the linear optical absorption of bulk semiconductors in the presence of a homogeneous constant (dc) electric field with an approach suitable for including excitonic effects while working with many-band models. The absorption…