Influence of the additional layer of hexagonal boron nitride (h-BN) on structure, energetics, and electronic spectra of a layer doped with magnesium, silicon, phosphorus, aluminum, or carbon atoms has been examined by theoretical methods. The h-BN layers are modeled as BN clusters of over thirty atoms with the defect in the center. The calculations show that atom positions undergo some modifications in the presence of the second layer, which in several cases lead to significant changes in electronic spectra, like (i) modifications of the character of some states from local excitation to a partial charge transfer; (ii) redshift of the majority of lowest excitations; (iii) absence or appearance of new states in comparison with the monolayers. For instance, a zero-intensity excitation below 4 eV for the carbon atom in place of boron transforms into a dipole-allowed one in the presence of the second layer. A comparison of the interaction energies of doped and undoped clusters shows a strong dependence of the stabilizing of destabilizing effect on the dopant atom, the replaced atom, and in some cases also on the stacking type (AA’ or AB). The stabilization energy per BN pair, calculated for two undoped clusters, is equal to − 31 and − 28 meV for the AA’ and AB stacking, respectively, thus confirming a larger stability of the AA’ stacking for the h-BN case.
Electronic supplementary material
The online version of this article (10.1007/s00894-020-04456-8) contains supplementary material, which is available to authorized users.
In art. 78 section 2 PrAut the right to protection and exercise of personal copyrights after the death of the creator has been granted to the persons mentioned in this provision. This is an extraordinary situation because, by its very nature, personal rights expire when a person dies. Such a solution raises discussion and is a source of doctrinal controversy. The subject and the rules of its compliance with the civil law system require determining what constitutes the subject of the protection granted, and therefore whether the claim for compensation for harm suffered as a consequence of the violation of personal copyrights after the death of the creator is a claim on behalf of the deceased creator, or is an autonomous personal right assigned to entities indicated in the Act. The paper discusses the concept of personal copyrights and their relationship to the personal rights of general law. There were pointed out the main theses of the literature on the subject of the protection of personal copyrights after the creator’s death. In this context, monetary recompense after the creator’s death has been considered. It was assumed that the decision depends on how the entity that raises a claim for monetary recompense will determine the harm.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.