Electronic structures and origin of intrinsic luminescence in Bi-containing oxide crystals BiPO4, K3Bi5(PO4)6, K2Bi(PO4)(MoO4), K2Bi(PO4)(WO4) and K5Bi(MoO4)4

HIZHNYI, Yu A ; NEDILKO, S. G ; et al.

In: Journal of alloys and compounds, Jg. 614 (2014), S. 420-435

Online academicJournal - print, 80 ref

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The origin of intrinsic photoluminescence (PL) in the set of Bi-containing phosphate, molybdate and tungstate crystals is analyzed in complex experimental and computational studies. The PL properties of polycrystalline powder samples of BiPO4, K3Bi5(PO4)6, K2Bi(PO4)(MoO4), K2Bi(PO4)(WO4) and K5Bi(MoO4)4 crystals synthesized by spontaneous crystallization method are studied under excitations in the VUV and UV region of photon energies (3.5-14 eV) at T = 8-300 K. The electronic band structures of the crystals are calculated by the Full-Potential Linear Augmented Plane Wave Method. The values of band gaps Eg of studied compounds are estimated from diffuse reflectance and PL excitation spectra. Calculations indicate that all studied crystals except K5Bi(MoO4)4 are indirect-gap materials. It is found that the Bi 6s and Bi 6p states contribute respectively at the tops of the Valence bands and the bottoms of the Conduction bands of all studied compounds. Each studied compound reveals several (at least two) PL emission components which undergo complete quenching below room temperature. Under nitrogen laser excitation with λex = 337.1 nm, all studied crystals reveal single-exponential decay of PL signal with decay constants τ in 3-35 μs range. It is assumed that the high-energy PL components of BiPO4, K3Bi5(PO4)6 and K2Bi(PO4)(MoO4) (peaking in the blue and violet regions) originate from 3P1 → 1S0 radiative transitions in Bi3+ ions. The red PL components of K2Bi(PO4)(MoO4) and K5Bi(MoO4)4 have the MoO2-4-related origin. The red PL component of K2Bi(PO4)(WO4) presumably originates from the molybdenum impurities which form MoO2-4 emission centers in the phosphate-tungstate host.

Titel:	Electronic structures and origin of intrinsic luminescence in Bi-containing oxide crystals BiPO4, K3Bi5(PO4)6, K2Bi(PO4)(MoO4), K2Bi(PO4)(WO4) and K5Bi(MoO4)4
Autor/in / Beteiligte Person:	HIZHNYI, Yu A ; NEDILKO, S. G ; CHORNII, V. P ; SLOBODYANIK, M. S ; ZATOVSKY, I. V ; TEREBILENKO, K. V
Link:	View record from ScienceDirect (Volltext) View record from PASCAL Archive
Zeitschrift:	Journal of alloys and compounds, Jg. 614 (2014), S. 420-435
Veröffentlichung:	Kidlington: Elsevier, 2014
Medientyp:	academicJournal
Umfang:	print, 80 ref
ISSN:	0925-8388 (print)
Schlagwort:	Inorganic chemistry Chimie minérale Crystallography Cristallographie cristallogenèse Metallurgy, welding Métallurgie, soudage Condensed state physics Physique de l'état condensé Sciences exactes et technologie Exact sciences and technology Physique Physics Etat condense: structure electronique, proprietes electriques, magnetiques et optiques Condensed matter: electronic structure, electrical, magnetic, and optical properties Propriétés optiques, spectroscopie et autres interactions de la matière condensée avec les particules et le rayonnement Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation Photoluminescence Bande interdite Energy gap Calcul APW APW calculations Cristallisation Crystallization Molybdate Molybdates Phosphate Phosphates Polycristal Polycrystals Rayonnement UV extrême Extreme ultraviolet radiation Rayonnement UV Ultraviolet radiation Réflexion diffuse Diffuse reflection Reflexión difusa Spectre excitation Excitation spectrum Espectro excitación Structure bande Band structure Tungstate Tungstates Bismuth Electronic structure Luminescence Oxide compounds
Sonstiges:	Nachgewiesen in: PASCAL Archive Sprachen: English Original Material: INIST-CNRS Document Type: Article File Description: text Language: English Author Affiliations: Taras Shevchenko National University of Kyiv, 64/13 Volodymyrska Street, Kyiv 01601, Ukraine Rights: Copyright 2015 INIST-CNRS ; CC BY 4.0 ; Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS Notes: Physics of condensed state: electronic structure, electrical, magnetic and optical properties

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