“…Below, we use the excitonic system of units, i.e., length and energy are measured in the units of exciton Bohr radius a ex = ε 2 /μe 2 and exciton Rydberg Ry ex = e 2 / 2εa ex , respectively (here, ε is the dielectric constant, μ = m e m h /(m e + m h ) is the reduced mass, and m e and m h are the electron and hole masses, respectively). To calculate the EHL energy, we use the model put forward in [14,15]. In the framework of density functional theory, the total energy of electrons and two types of holes is written as…”