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RESEARCH PAPER · Inorganic Chemistry · 2017

The Mineral Stützite: a Zintl-Phase or Polar Intermetallic? A Case Study Using Experimental and Quantum-Chemical Techniques

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The Mineral Stützite: a Zintl-Phase or Polar Intermetallic? A Case Study Using Experimental and Quantum-Chemical TechniquesOriginalRevealing Tendencies in the Electronic Structures of Polar Intermetallic Compounds38Development of a robust tool to extract Mulliken and Löwdin charges from plane waves and its application to solid-state materials156Revealing the Nature of Chemical Bonding in an ALn2Ag3Te5-Type Alkaline-Metal (A) Lanthanide (Ln) Silver Telluride16Revisiting the Zintl‒Klemm Concept for ALn2Ag3Te5-Type Alkaline-Metal (A) Lanthanide (Ln) Silver Tellurides16Probing the Validity of the Zintl−Klemm Concept for Alkaline-Metal Copper Tellurides by Means of Quantum-Chemical Techniques19Revealing 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 Approaches11Examination 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'Q322Chemical bonding with plane waves9Exploring 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 techniques5Analysis of Charge Distributions in Functional Transition-Metal Tellurides1Bonding Analyses in the Broad Realm of Intermetallics: Understanding the Role of Chemical Bonding in the Design of Novel Materials33Exploring the Nature of Ag–Ag Interactions in Different Tellurides by Means of the Crystal Orbital Bond Index (COBI)4Synthesis, Crystal and Electronic Structures, and Magnetic and Electrical Transport Properties of Bismuthides NdZn0.6Bi2 and (La0.5RE0.5)Zn0.6Bi2 (RE = Pr or Nd)7Exploring the correlation between chemical bonding and structural distortions in TbCu0.33Te24Tellurides as Zintl phases?4Direct Joule-Heated Non-Equilibrium Synthesis Enables High Performing Thermoelectrics1

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  1. Revealing Tendencies in the Electronic Structures of Polar Intermetallic Compounds

    Crystals · 2018-02-02

    Fabian C. Gladisch, Simon Steinberg

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  2. Development of a robust tool to extract Mulliken and Löwdin charges from plane waves and its application to solid-state materials

    RSC Advances · 2019-01-01

    Christina Ertural, Simon Steinberg, Richard Dronskowski

    Read original paper ↗ ·
  3. Revealing the Nature of Chemical Bonding in an ALn2Ag3Te5-Type Alkaline-Metal (A) Lanthanide (Ln) Silver Telluride

    Inorganics · 2019-05-31

    Kai C. Göbgen, Kai S. Fries, Fabian C. Gladisch, Richard Dronskowski, Simon Steinberg

    Read original paper ↗ ·
  4. Revisiting the Zintl‒Klemm Concept for ALn2Ag3Te5-Type Alkaline-Metal (A) Lanthanide (Ln) Silver Tellurides

    Crystals · 2020-03-07

    Katharina Eickmeier, Kai S. Fries, Fabian C. Gladisch, Richard Dronskowski, Simon Steinberg

    Read original paper ↗ ·
  5. Probing the Validity of the Zintl−Klemm Concept for Alkaline-Metal Copper Tellurides by Means of Quantum-Chemical Techniques

    Materials · 2020-05-09

    Sabrina Smid, Simon Steinberg

    Read original paper ↗ ·
  6. 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

    Read original paper ↗ ·
  7. 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

    Read original paper ↗ ·
  8. 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

    Read original paper ↗ ·
  9. 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

    Read original paper ↗ ·
  10. 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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  11. 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

    Read original paper ↗ ·
  12. 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

    Read original paper ↗ ·
  13. Chemical bonding with plane waves

    Elsevier eBooks · 2022-10-21

    Ryky Nelson, Christina Ertural, Peter C. Müller, Richard Dronskowski

    Read original paper ↗ ·
  14. Exploring the subtle factors that control the structural preferences in Cu7Te4

    Journal of Physics Condensed Matter · 2022-11-09

    Peter M. Koch, Simon Steinberg

    Read original paper ↗ ·
  15. Exploring the Interdependence between Electronically Unfavorable Situations and Pressure in a Chalcogenide Superconductor

    Inorganics · 2023-01-27

    Kai S. Fries, Simon Steinberg

    Read original paper ↗ ·
  16. 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

    Read original paper ↗ ·
  17. Analysis of Charge Distributions in Functional Transition-Metal Tellurides

    Topics in Catalysis · 2023-10-26

    Simon Steinberg

    Read original paper ↗ ·
  18. Bonding Analyses in the Broad Realm of Intermetallics: Understanding the Role of Chemical Bonding in the Design of Novel Materials

    Chemistry of Materials · 2024-07-09

    Linda S. Reitz, Jan Hempelmann, Peter C. Müller, Richard Dronskowski, Simon Steinberg

    Read original paper ↗ ·
  19. 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

    Read original paper ↗ ·
  20. Synthesis, Crystal and Electronic Structures, and Magnetic and Electrical Transport Properties of Bismuthides NdZn0.6Bi2 and (La0.5RE0.5)Zn0.6Bi2 (RE = Pr or Nd)

    Inorganic Chemistry · 2024-09-19

    Karishma Prasad, Dinesh Upreti, Md Rafique Un Nabi, Richeal Oppong, Fei Wang, Manish Shinde, Jin Hu, Jian Wang

    Read original paper ↗ ·
  21. Exploring the correlation between chemical bonding and structural distortions in TbCu0.33Te2

    Journal of Physics Condensed Matter · 2024-12-30

    Leander Weinelt, Simon Steinberg

    Read original paper ↗ ·
  22. Tellurides as Zintl phases?

    Journal of Physics Condensed Matter · 2025-06-17

    Simon Steinberg

    Read original paper ↗ ·
  23. Direct Joule-Heated Non-Equilibrium Synthesis Enables High Performing Thermoelectrics

    Research Square · 2025-11-07

    Kedar Hippalgaonkar, Chenguang Zhang, Jose Recatala‐Gomez, Zainul Aabdin, Yi Jiang, Luyang Jiang, Sze Yu Tan, Hong Liu, Yuting Qian, Coryl J.J. Lee, Sabrine Hachmioune, Vaishali Taneja, Anqi Sng, Pawan Kumar, Haiwen Dai, Zhiqian Lin, Weng Weei Tjiu, Fengxia Wei, Qianhong She, D. V. Maheswar Repaka, David O. Scanlon, Kanishka Biswas, Yee Kan Koh

    Read original paper ↗ ·