Archive: 2006 - Moldavian Journal of the Physical Sciences

05 Jan 2006

2006
V. 5
1
(p.15 - 19)

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

Authors:

Hizhnyi, Iu.; Nedilko, S.; Nicolaenco, Tatiana

Summary:

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.

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BibTeX

@article{ibn_3403,
author = {Hizhnyi, I.A. and Nedilko, S.G. and Nicolaenco, T.},
title = {Electronic structures of luminescence centers in pure and defective scintillation crystals AWO4 (A = Pb, Cd, Zn)},
journal = {Moldavian Journal of the Physical Sciences},
year = {2006},
volume = {5 (1)},
pages = {15-19},
month = {Jan},
abstract = {(EN) 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. 
 },
url = {https://ibn.idsi.md/vizualizare_articol/3403},
}

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<dc:description xml:lang='en'>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. 
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“ ... ”

SM ISO690:2012

HIZHNYI, Iu.; NEDILKO, S.; NICOLAENCO, Tatiana. Electronic structures of luminescence centers in pure and defective scintillation crystals AWO4 (A = Pb, Cd, Zn). In: Moldavian Journal of the Physical Sciences. 2006, nr. 1(5), pp. 15-19. ISSN 1810-648X.