Journal Article

PUBDB-2019-02135

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Origin of luminescence in ZnMoO$_4$ crystals: Insights from spectroscopic studies and electronic structure calculations

Hizhnyi, Y. ; Zatovsky, I. ; Nedilko, S.Extern* ; Boiko, R. ; Li, J. ; Han, W. ; Klyui, N. I. (Corresponding author)

2019
Elsevier New York, NY [u.a.]

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Please use a persistent id in citations: doi:10.1016/j.jlumin.2019.03.031

Abstract: A set of ZnMoO$_4$ polycrystalline samples was synthesized by solid state reaction method and characterized by XRD structural analysis, ICP elemental analysis, SEM-EDX analysis, UV–Vis diffuse reflectance spectroscopy. The photoluminescence (PL) properties of ZnMoO$_4$ samples were studied in 8–300 K temperature range with use of synchrotron radiation as an excitation source. The geometry-optimized electronic structure calculations of perfect and defective ZnMoO$_4$ crystals were carried out by the DFT-based band-structure methods, plane-wave pseudo-potential (CASTEP program package) and FP-LAPW (Wien2k package). A number of point defects which can influence the luminescence properties of ZnMoO$_4$ was considered in calculations, namely the oxygen vacancy V$_o$, compensated vacancies V$_o$ + V$_{Zn}$, tungsten impurity W$_{Mo}$ and the MoO$_3$-deficient phase Zn$_3$Mo$_2$O$_9$. Comparative analysis of experimental data and calculation results allowed explanation of the origin of the red and blue-green luminescence emission bands of ZnMoO$_4$ as well as formation of their excitation spectra. It is assumed that the green component of ZnMoO$_4$ luminescence emission, like in other molybdates of M$^{II}$MoO$_4$ family (M$^{II}$ = Ca, Sr, Cd, Pb) originates from radiative annihilation of excitons self-trapped on regular MoO$_4$ groups. The Red component of ZnMoO$_4$ emission has a defect-related origin and it originates from radiative transitions in MoO$_4$ groups located near oxygen vacancies.

Note: © Elsevier B.V.; Final published version in progress; Post referee fulltext in progress; Embargo 12 months from publication

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Contributing Institute(s):

1. FS-Experimentebetreuung DORIS (FS-DO)

Research Program(s):

1. 899 - ohne Topic (POF3-899) (POF3-899)

Experiment(s):

1. DORIS Beamline I (DORIS III)

Appears in the scientific report 2019

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Database coverage:
; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; Nationallizenz ; No Fulltext ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection

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