Revealing the Bonding Nature in an ALnZnTe<sub>3</sub>-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical Techniques

Tellurides have attracted an enormous interest in the quest for materials addressing future challenges, because many of them are at the cutting edge of basic research and technologies due to their remarkable chemical and physical properties. The key to the tailored design of tellurides and their pro...

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Main Authors: Katharina Eickmeier, Simon Steinberg
Format: Article
Language:English
Published: MDPI AG 2020-10-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/10/10/916
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spelling doaj-fcd61e92d3b34ec39fff4adb8dc7fea32020-11-25T03:56:21ZengMDPI AGCrystals2073-43522020-10-011091691610.3390/cryst10100916Revealing the Bonding Nature in an ALnZnTe<sub>3</sub>-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical TechniquesKatharina Eickmeier0Simon Steinberg1Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, D-52074 Aachen, GermanyInstitute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, D-52074 Aachen, GermanyTellurides have attracted an enormous interest in the quest for materials addressing future challenges, because many of them are at the cutting edge of basic research and technologies due to their remarkable chemical and physical properties. The key to the tailored design of tellurides and their properties is a thorough understanding of their electronic structures including the bonding nature. While a unique type of bonding has been recently identified for post-transition-metal tellurides, the electronic structures of tellurides containing early and late-transition-metals have been typically understood by applying the Zintl−Klemm concept; yet, does the aforementioned formalism actually help us in understanding the electronic structures and bonding nature in such tellurides? To answer this question, we prototypically examined the electronic structure for an alkaline metal lanthanide zinc telluride, i.e., RbDyZnTe<sub>3</sub>, by means of first-principles-based techniques. In this context, the crystal structures of RbLnZnTe<sub>3</sub> (Ln = Gd, Tb, Dy), which were obtained from high-temperature solid-state syntheses, were also determined for the first time by employing X-ray diffraction techniques.https://www.mdpi.com/2073-4352/10/10/916polar intermetallicstellurideschemical bonding analysis
collection DOAJ
language English
format Article
sources DOAJ
author Katharina Eickmeier
Simon Steinberg
spellingShingle Katharina Eickmeier
Simon Steinberg
Revealing the Bonding Nature in an ALnZnTe<sub>3</sub>-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical Techniques
Crystals
polar intermetallics
tellurides
chemical bonding analysis
author_facet Katharina Eickmeier
Simon Steinberg
author_sort Katharina Eickmeier
title Revealing the Bonding Nature in an ALnZnTe<sub>3</sub>-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical Techniques
title_short Revealing the Bonding Nature in an ALnZnTe<sub>3</sub>-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical Techniques
title_full Revealing the Bonding Nature in an ALnZnTe<sub>3</sub>-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical Techniques
title_fullStr Revealing the Bonding Nature in an ALnZnTe<sub>3</sub>-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical Techniques
title_full_unstemmed Revealing the Bonding Nature in an ALnZnTe<sub>3</sub>-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical Techniques
title_sort revealing the bonding nature in an alnznte<sub>3</sub>-type alkaline-metal (a) lanthanide (ln) zinc telluride by means of experimental and quantum-chemical techniques
publisher MDPI AG
series Crystals
issn 2073-4352
publishDate 2020-10-01
description Tellurides have attracted an enormous interest in the quest for materials addressing future challenges, because many of them are at the cutting edge of basic research and technologies due to their remarkable chemical and physical properties. The key to the tailored design of tellurides and their properties is a thorough understanding of their electronic structures including the bonding nature. While a unique type of bonding has been recently identified for post-transition-metal tellurides, the electronic structures of tellurides containing early and late-transition-metals have been typically understood by applying the Zintl−Klemm concept; yet, does the aforementioned formalism actually help us in understanding the electronic structures and bonding nature in such tellurides? To answer this question, we prototypically examined the electronic structure for an alkaline metal lanthanide zinc telluride, i.e., RbDyZnTe<sub>3</sub>, by means of first-principles-based techniques. In this context, the crystal structures of RbLnZnTe<sub>3</sub> (Ln = Gd, Tb, Dy), which were obtained from high-temperature solid-state syntheses, were also determined for the first time by employing X-ray diffraction techniques.
topic polar intermetallics
tellurides
chemical bonding analysis
url https://www.mdpi.com/2073-4352/10/10/916
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