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http://dspace.msu.edu.ua:8080/jspui/handle/123456789/6833
Titel: | Influence of cation vacancies and Bi impurity on the electronic structure and photoelectric properties of orthorhombic GeS |
Autoren: | Bletskan, D. I. Glukhov, K. E. Kabatsii, V. M. Кабацій, Василь Миколайович |
Stichwörter: | Germanium monosulfide Electronic structure Point defects Photoconductivity Photoluminescence Моносульфід германію електронна структура точкові дефекти фотопровідність фотолюмінесценція |
Erscheinungsdatum: | 2019 |
Zusammenfassung: | Quantum-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. |
Beschreibung: | Bletskan 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 - 640 |
URI: | http://dspace.msu.edu.ua:8080/jspui/handle/123456789/6833 |
Enthalten in den Sammlungen: | Статті |
Dateien zu dieser Ressource:
Datei | Beschreibung | Größe | Format | |
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Influence_ of_ cation_ vacancies _and_ Bi_ impurity _on _the_ electronic_ structure _and _photoelectric_ properties_ of _orthorhombic _GeS.pdf | Influence of cation vacancies and Bi impurity on the electronic structure and photoelectric properties of orthorhombic GeS | 2.32 MB | Adobe PDF | Öffnen/Anzeigen |
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