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RESEARCH PAPER · Materials · 2020

Probing the Validity of the Zintl−Klemm Concept for Alkaline-Metal Copper Tellurides by Means of Quantum-Chemical Techniques

Sabrina Smid, Simon Steinberg

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Probing the Validity of the Zintl−Klemm Concept for Alkaline-Metal Copper Tellurides by Means of Quantum-Chemical TechniquesOriginalRevealing the Bonding Nature in an ALnZnTe3-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical Techniques13Bonding diversity in rock salt-type tellurides: examining the interdependence between chemical bonding and materials properties25Eu2CuSe3 Revisited by Means of Experimental and Quantum‐Chemical Techniques11Exploring the frontier between polar intermetallics and Zintl phases for the examples of the prolific ALnTnTe3-type alkali metal (A) lanthanide (Ln) late transition metal (Tn) tellurides7Rb 3 Er 4 Cu 5 Te 10 : Exploring the Frontier between Polar Intermetallics and Zintl‐Phases via Experimental and Quantumchemical Approaches11The Role of Different Alkali Metals in the A15Tl27 Type Structure and the Synthesis and X-ray Structure Analysis of a New Substitutional Variant Cs14.53Tl28.44Examination of a Structural Preference in Quaternary Alkali-Metal (A) Rare-Earth (R) Copper Tellurides by Combining Experimental and Quantum-chemical Means11Exploring the Impact of Lone Pairs on the Structural Features of Alkaline‐Earth (A) Transition‐Metal (M,M’) Chalcogenides (Q) AMM'Q322Exploring the subtle factors that control the structural preferences in Cu7Te49Exploring the Interdependence between Electronically Unfavorable Situations and Pressure in a Chalcogenide Superconductor2Revisiting the frontier of the Zintl–Klemm approach for the examples of three Mo2FeB2‐type intermetallics by means of quantumchemical techniques5Exploring the Nature of Ag–Ag Interactions in Different Tellurides by Means of the Crystal Orbital Bond Index (COBI)4Exploring the correlation between chemical bonding and structural distortions in TbCu0.33Te24Tellurides as Zintl phases?4A First-Principles Modeling of the Elastic Properties and Generalized Stacking Fault Energy of Ir-W Solid Solution Alloys4Ultralow Thermal Conductivity in Layered CuGe 2 Se 30Ultralow Thermal Conductivity in Layered CuGe 2 Se 35Tellurides as Zintl phases—to be or not to be?1Phase-Pure Synthesis and Thermal Transport Properties of Metallic Telluride Cu5Ge2Te71

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19 direct citing papers saved.

  1. Revealing the Bonding Nature in an ALnZnTe3-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical Techniques

    Crystals · 2020-10-10

    Katharina Eickmeier, Simon Steinberg

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  2. Bonding diversity in rock salt-type tellurides: examining the interdependence between chemical bonding and materials properties

    RSC Advances · 2021-01-01

    Jasmin Simons, Jan Hempelmann, Kai S. Fries, Peter C. Müller, Richard Dronskowski, Simon Steinberg

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  3. Eu2CuSe3 Revisited by Means of Experimental and Quantum‐Chemical Techniques

    European Journal of Inorganic Chemistry · 2021-02-26

    Fabian C. Gladisch, Stefan Maier, Simon Steinberg

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  4. Exploring the frontier between polar intermetallics and Zintl phases for the examples of the prolific ALnTnTe3-type alkali metal (A) lanthanide (Ln) late transition metal (Tn) tellurides

    Zeitschrift für Naturforschung B · 2021-09-17

    Katharina Eickmeier, Simon Steinberg

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  5. Rb 3 Er 4 Cu 5 Te 10 : Exploring the Frontier between Polar Intermetallics and Zintl‐Phases via Experimental and Quantumchemical Approaches

    European Journal of Inorganic Chemistry · 2021-10-08

    Fabian C. Gladisch, Jan van Leusen, Marco T. Passia, Paul Kögerler, Simon Steinberg

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  6. The Role of Different Alkali Metals in the A15Tl27 Type Structure and the Synthesis and X-ray Structure Analysis of a New Substitutional Variant Cs14.53Tl28.4

    Materials · 2021-12-08

    Vanessa F. Schwinghammer, Susanne M. Tiefenthaler, Stefanie Gärtner

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  7. Examination of a Structural Preference in Quaternary Alkali-Metal (A) Rare-Earth (R) Copper Tellurides by Combining Experimental and Quantum-chemical Means

    Inorganic Chemistry · 2022-06-06

    Fabian C. Gladisch, Thomas Pippinger, Jens Meyer, Julian Pries, Jens Richter, Simon Steinberg

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  8. Exploring the Impact of Lone Pairs on the Structural Features of Alkaline‐Earth (A) Transition‐Metal (M,M’) Chalcogenides (Q) AMM'Q3

    European Journal of Inorganic Chemistry · 2022-07-24

    Katharina Eickmeier, Ruben Poschkamp, Richard Dronskowski, Simon Steinberg

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  9. Exploring the subtle factors that control the structural preferences in Cu7Te4

    Journal of Physics Condensed Matter · 2022-11-09

    Peter M. Koch, Simon Steinberg

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  10. Exploring the Interdependence between Electronically Unfavorable Situations and Pressure in a Chalcogenide Superconductor

    Inorganics · 2023-01-27

    Kai S. Fries, Simon Steinberg

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  11. Revisiting the frontier of the Zintl–Klemm approach for the examples of three Mo2FeB2‐type intermetallics by means of quantumchemical techniques

    Zeitschrift für anorganische und allgemeine Chemie · 2023-07-27

    Simon Steinberg

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  12. Exploring the Nature of Ag–Ag Interactions in Different Tellurides by Means of the Crystal Orbital Bond Index (COBI)

    Inorganics · 2024-07-12

    Leander Weinelt, Simon Steinberg

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  13. Exploring the correlation between chemical bonding and structural distortions in TbCu0.33Te2

    Journal of Physics Condensed Matter · 2024-12-30

    Leander Weinelt, Simon Steinberg

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  14. Tellurides as Zintl phases?

    Journal of Physics Condensed Matter · 2025-06-17

    Simon Steinberg

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  15. A First-Principles Modeling of the Elastic Properties and Generalized Stacking Fault Energy of Ir-W Solid Solution Alloys

    Materials · 2025-08-01

    Pengwei Shi, Jianbo Ma, Fenggang Bian, Guolu Li

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  16. Ultralow Thermal Conductivity in Layered CuGe 2 Se 3

    Angewandte Chemie · 2025-11-11

    Arnab Dutta, Achintya Lakshan, Simon Steinberg, Igor L. Moudrakovski, Jürgen Nuß, Partha P. Jana

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  17. Ultralow Thermal Conductivity in Layered CuGe 2 Se 3

    Angewandte Chemie International Edition · 2025-11-12

    Arnab Dutta, Achintya Lakshan, Simon Steinberg, Igor L. Moudrakovski, Jürgen Nuß, Partha P. Jana

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  18. Tellurides as Zintl phases—to be or not to be?

    Japanese Journal of Applied Physics · 2025-11-17

    Simon Steinberg

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  19. Phase-Pure Synthesis and Thermal Transport Properties of Metallic Telluride Cu5Ge2Te7

    Chemistry of Materials · 2026-07-20

    Arnab Dutta, Jayanta Dutta, Simon Steinberg, D. V. Maheswar Repaka, Pawan Kumar, Debbie Hwee Leng Seng, Kedar Hippalgaonkar, Partha P. Jana

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