Igor Lukačević

TL;DR: The present paper aims to describe the new capabilities of ABINIT that have been developed since 2009, which include new physical and technical features that allow electronic structure calculations impossible to carry out in the previous versions.

TL;DR: In this article, the optical properties of α and β allotropes of antimonene monolayers have been calculated within the random phase approximation (RPA) using density functional theory.

TL;DR: In this paper, the vibrational properties and Raman susceptibility tensor at ambient and high pressure of rutile phase of TiO2 were studied using the plane-wave pseudopotential technique based on the first-principles density functional perturbation theory.

TL;DR: In this article, structural and electronic properties of indium monolayers in three different allotropic forms: planar, puckered and buckled were investigated and the van Hove singularity was observed in the electronic density of states.

TL;DR: In this article, the authors investigated the thermal conductivity of a long free-standing graphene nanoribbon (GNR) by a one-dimensional direction-dependent phonon-boundary scattering in the frame of linearized phonon Boltzmann transport method.