Electronic structures of luminescence centers in pure and defective scintillation crystals AWO4 (A = Pb, Cd, Zn)

The electronic structures of the set of molecular clusters of dielectric oxide crystals AWO4 (A = Pb, Cd, Zn), the sizes of which increase sequentially are ab-initio calculated by the Restricted Hartree-Fock (RHF) method. The results of calculations of molecular orbitals and energy dependences of pa...

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Autores principales:	Hizhnyi, Iu., Nedilko, S., Nicolaenco, Tatiana
Formato:	article
Lenguaje:	EN
Publicado:	D.Ghitu Institute of Electronic Engineering and Nanotechnologies 2006
Materias:	Physics QC1-999 Electronics TK7800-8360
Acceso en línea:	https://doaj.org/article/f60de97a9653416aa6afce8e2a79f19e
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spelling	oai:doaj.org-article:f60de97a9653416aa6afce8e2a79f19e2021-11-21T12:10:01ZElectronic structures of luminescence centers in pure and defective scintillation crystals AWO4 (A = Pb, Cd, Zn)2537-63651810-648Xhttps://doaj.org/article/f60de97a9653416aa6afce8e2a79f19e2006-01-01T00:00:00Zhttps://mjps.nanotech.md/archive/2006/article/3403https://doaj.org/toc/1810-648Xhttps://doaj.org/toc/2537-6365The electronic structures of the set of molecular clusters of dielectric oxide crystals AWO4 (A = Pb, Cd, Zn), the sizes of which increase sequentially are ab-initio calculated by the Restricted Hartree-Fock (RHF) method. The results of calculations of molecular orbitals and energy dependences of partial densities of electronic states of different clusters are compared each to other and to experimental data. It is found that calculated electronic structures of the tungstate groups and cations which are surrounded in cluster by certain number of the nearest neighbor atoms of the crystals quite well represent the experimentally obtained value of the forbidden gap of corresponding AWO4 crystal. Hizhnyi, Iu.Nedilko, S.Nicolaenco, TatianaD.Ghitu Institute of Electronic Engineering and NanotechnologiesarticlePhysicsQC1-999ElectronicsTK7800-8360ENMoldavian Journal of the Physical Sciences, Vol 5, Iss 1, Pp 15-19 (2006)
institution	DOAJ
collection	DOAJ
language	EN
topic	Physics QC1-999 Electronics TK7800-8360
spellingShingle	Physics QC1-999 Electronics TK7800-8360 Hizhnyi, Iu. Nedilko, S. Nicolaenco, Tatiana Electronic structures of luminescence centers in pure and defective scintillation crystals AWO4 (A = Pb, Cd, Zn)
description	The electronic structures of the set of molecular clusters of dielectric oxide crystals AWO4 (A = Pb, Cd, Zn), the sizes of which increase sequentially are ab-initio calculated by the Restricted Hartree-Fock (RHF) method. The results of calculations of molecular orbitals and energy dependences of partial densities of electronic states of different clusters are compared each to other and to experimental data. It is found that calculated electronic structures of the tungstate groups and cations which are surrounded in cluster by certain number of the nearest neighbor atoms of the crystals quite well represent the experimentally obtained value of the forbidden gap of corresponding AWO4 crystal.
format	article
author	Hizhnyi, Iu. Nedilko, S. Nicolaenco, Tatiana
author_facet	Hizhnyi, Iu. Nedilko, S. Nicolaenco, Tatiana
author_sort	Hizhnyi, Iu.
title	Electronic structures of luminescence centers in pure and defective scintillation crystals AWO4 (A = Pb, Cd, Zn)
title_short	Electronic structures of luminescence centers in pure and defective scintillation crystals AWO4 (A = Pb, Cd, Zn)
title_full	Electronic structures of luminescence centers in pure and defective scintillation crystals AWO4 (A = Pb, Cd, Zn)
title_fullStr	Electronic structures of luminescence centers in pure and defective scintillation crystals AWO4 (A = Pb, Cd, Zn)
title_full_unstemmed	Electronic structures of luminescence centers in pure and defective scintillation crystals AWO4 (A = Pb, Cd, Zn)
title_sort	electronic structures of luminescence centers in pure and defective scintillation crystals awo4 (a = pb, cd, zn)
publisher	D.Ghitu Institute of Electronic Engineering and Nanotechnologies
publishDate	2006
url	https://doaj.org/article/f60de97a9653416aa6afce8e2a79f19e
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_version_	1718419220213006336

Electronic structures of luminescence centers in pure and defective scintillation crystals AWO4 (A = Pb, Cd, Zn)

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