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dc.contributor.authorBletskan, D. I.-
dc.contributor.authorGlukhov, K. E.-
dc.contributor.authorKabatsii, V. M.-
dc.contributor.authorКабацій, Василь Миколайович-
dc.date.accessioned2020-06-18T19:47:35Z-
dc.date.available2020-06-18T19:47:35Z-
dc.date.issued2019-
dc.identifier.urihttp://dspace.msu.edu.ua:8080/jspui/handle/123456789/6833-
dc.descriptionBletskan D. I. Influence of cation vacancies and Bi impurity on the electronic structure and photoelectric properties of orthorhombic GeS / D. I. Bletskan, K. E. Glukhov, V. M. Kabatsii // Journal of Optoelectronics and Advanced Materials. -2019 p. - Vol. 21, No. 9-10. - Р. 629 - 640en_US
dc.description.abstractQuantum-chemical studies of GeS electronic structure containing intrinsic point defects (vacancies in the cation (VGe) and anion (VS) sublattices), isolated substitutional impurities BiGe and {VGe–BiGe}-type complexes were performed using density functional theory in the LDA+U-approximation as well as their role in the formation of photoelectric characteristics of the crystals was discussed. It was established that the localization of Bi impurity predominantly in the germanium positions induces the appearance of donor-type levels in the bandgap compensating the acceptor levels formed by cation vacancies which lead to the increase of dark resistivity as well as the sharp increase of photosensitivity of GeS crystals. The features of chemical bonding in the defect-free and defective GeS crystals were analyzed on the basis of electronic density distribution maps. Electronic density maps clearly show the covalent-ionic bond nature within the corrugated doublelayer packets with the predominant charge concentration on Ge–S (Bi–S) bonds as well as the weak van der Waals bond components between double-layer packets with the participation of germanium electronic lone pair.en_US
dc.language.isootheren_US
dc.subjectGermanium monosulfideen_US
dc.subjectElectronic structureen_US
dc.subjectPoint defectsen_US
dc.subjectPhotoconductivityen_US
dc.subjectPhotoluminescenceen_US
dc.subjectМоносульфід германіюen_US
dc.subjectелектронна структураen_US
dc.subjectточкові дефектиen_US
dc.subjectфотопровідністьen_US
dc.subjectфотолюмінесценціяen_US
dc.titleInfluence of cation vacancies and Bi impurity on the electronic structure and photoelectric properties of orthorhombic GeSen_US
dc.typeArticleen_US
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