Flux Crystal Growth, Crystal Structure, and Optical Properties of New Germanate Garnet Ce2 CaMg2 Ge3 O12

Frontiers in Chemistry
Jie ChenHans-Conrad Zur Loye

Abstract

A new germanate garnet compound, Ce2CaMg2Ge3O12, was synthesized via flux crystal growth. Truncated spherical, reddish-orange single crystals with a typical size of 0.1-0.3 mm were grown out of a BaCl2-CaCl2 melt. The single crystals were characterized by single-crystal X-ray diffraction analysis, which revealed that it adopted a cubic garnet-type structure with a = 12.5487(3) Å in the space group Ia-3d. Its composition is best described as A3B2C3O12, where Ce/Ca, Mg, and Ge occupied the A, B, and C sites, respectively. A UV-vis absorption spectroscopy measurement on the germanate garnet revealed a clear absorption edge corresponding to a band gap of 2.21 eV (λ = 561 nm). First-principle calculations indicated that the valence band maximum was composed of Ce 4f bands, whereas the conduction band minimum mainly consisted of Ce 5d bands. These findings explain the observed absorption edge through the Ce 4f → 5d absorption. Photoluminescence emission spectra exhibited a very broad peak centered at 600 nm, corresponding to transition from the lowest energy d level to the 4f levels.

References

Dec 15, 1994·Physical Review. B, Condensed Matter·P E Blöchl
Oct 15, 1996·Physical Review. B, Condensed Matter·G Kresse, J Furthmüller
Jan 1, 1993·Physical Review. B, Condensed Matter·G Kresse, J Hafner
Jun 4, 2008·Physical Review Letters·John P PerdewKieron Burke
Apr 28, 2009·Physical Review Letters·Hong JiangMatthias Scheffler
Jan 1, 2009·Acta Crystallographica. Section E, Structure Reports Online·Takashi KomoriTakashi Okuda
Jan 1, 2009·Acta Crystallographica. Section E, Structure Reports Online·Takashi KomoriTakashi Okuda
Jan 31, 2012·Angewandte Chemie·Daniel E Bugaris, Hans-Conrad zur Loye
Apr 6, 2012·Journal of Applied Crystallography·Christian B HübschleBirger Dittrich
Dec 30, 2014·Acta Crystallographica. Section A, Foundations and Advances·George M Sheldrick
Jun 20, 2015·Journal of Applied Crystallography·Lennard KrauseDietmar Stalke
Nov 12, 2016·Chemical Society Reviews·Zhiguo Xia, Andries Meijerink
Oct 8, 2019·Acta Crystallographica. Section C, Structural Chemistry·Zhen SongQuanlin Liu

❮ Previous
Next ❯

Methods Mentioned

BETA
X-ray

Software Mentioned

- FP
RIETAN
CLUPAN
Vienna Ab - initio Simulation Package ( VASP )
SHELXL
2018
ShelXle
SHELXT
SADABS
SAINT +

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

Physical Review. B, Condensed Matter
A P MuraniW G Marshall
Journal of Capillary Electrophoresis and Microchip Technology
Alma L Revilla, Josef Havel
Physical Chemistry Chemical Physics : PCCP
Luis Seijo, Zoila Barandiarán
© 2021 Meta ULC. All rights reserved