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August 06, 2021 article Open access Aachen paper

Metavalent Bonding in Crystalline Solids: How Does It Collapse?

Advanced Materials, vol. 33, pp. e2102356

DOI: 10.1002/adma.202102356 Full text (OA) OpenAlex

Abstract

Abstract The chemical bond is one of the most powerful, yet much debated concepts in chemistry, explaining property trends in solids. Recently, a novel type of chemical bonding was identified in several higher chalcogenides, characterized by a unique property portfolio, unconventional bond breaking, and sharing of about one electron between adjacent atoms. This metavalent bond is a fundamental type of bonding in solids, besides covalent, ionic, and metallic bonding, raising the pertinent question as to whether there is a well‐defined transition between metavalent and covalent bonds. Here, three different pseudo‐binary lines, namely, GeTe1−xSex, Sb2Te3(1−x)Se3x, and Bi2−2xSb2xSe3, are studied, and a sudden change in several properties, including optical absorption ε2(ω), optical dielectric constant ε∞, Born effective charge Z*, electrical conductivity, as well as bond breaking behavior for a critical Se or Sb concentration, is evidenced. These findings provide a blueprint to experimentally explore the influence of metavalent bonding on attractive properties of phase‐change materials and thermoelectrics. Particularly important is its impact on optical properties, which can be tailored by the amount of electrons shared between adjacent atoms. This correlation can be used to design optoelectronic materials and to explore systematic changes in chemical bonding with stoichiometry and atomic arrangement.

Authors 19

  1. Ludovica Guarneri Aachen I. Physikalisches Institut

    RWTH Aachen University

    Affiliation as printed

    I. Physikalisches Institut (IA) RWTH Aachen University 52056 Aachen Germany

    I. Physikalisches Institut (IA), RWTH Aachen University, 52056 Aachen, Germany

  2. Stefan Jakobs Aachen I. Physikalisches Institut

    RWTH Aachen University

    Affiliation as printed

    I. Physikalisches Institut (IA) RWTH Aachen University 52056 Aachen Germany

    I. Physikalisches Institut (IA), RWTH Aachen University, 52056 Aachen, Germany

  3. Alexander von Hoegen Aachen I. Physikalisches Institut

    RWTH Aachen University

    Affiliation as printed

    I. Physikalisches Institut (IA) RWTH Aachen University 52056 Aachen Germany

    I. Physikalisches Institut (IA), RWTH Aachen University, 52056 Aachen, Germany

  4. Stefan Maier Aachen I. Physikalisches Institut

    RWTH Aachen University

    Affiliation as printed

    I. Physikalisches Institut (IA) RWTH Aachen University 52056 Aachen Germany

    I. Physikalisches Institut (IA), RWTH Aachen University, 52056 Aachen, Germany

  5. Ming Xu Aachen I. Physikalisches Institut

    RWTH Aachen University

    Affiliation as printed

    I. Physikalisches Institut (IA) RWTH Aachen University 52056 Aachen Germany

    I. Physikalisches Institut (IA), RWTH Aachen University, 52056 Aachen, Germany

  6. Min Hao Zhu Aachen I. Physikalisches Institut

    RWTH Aachen University

    Affiliation as printed

    I. Physikalisches Institut (IA) RWTH Aachen University 52056 Aachen Germany

    I. Physikalisches Institut (IA), RWTH Aachen University, 52056 Aachen, Germany

  7. Sophia Wahl Aachen I. Physikalisches Institut

    RWTH Aachen University

    Affiliation as printed

    I. Physikalisches Institut (IA) RWTH Aachen University 52056 Aachen Germany

    I. Physikalisches Institut (IA), RWTH Aachen University, 52056 Aachen, Germany

  8. Christian Teichrib Aachen I. Physikalisches Institut

    RWTH Aachen University

    Affiliation as printed

    I. Physikalisches Institut (IA) RWTH Aachen University 52056 Aachen Germany

    I. Physikalisches Institut (IA), RWTH Aachen University, 52056 Aachen, Germany

  9. Yiming Zhou Aachen I. Physikalisches Institut

    RWTH Aachen University

    Affiliation as printed

    I. Physikalisches Institut (IA) RWTH Aachen University 52056 Aachen Germany

    I. Physikalisches Institut (IA), RWTH Aachen University, 52056 Aachen, Germany

  10. Oana Cojocaru‐Mirédin Aachen I. Physikalisches Institut

    RWTH Aachen University

    Affiliation as printed

    I. Physikalisches Institut (IA) RWTH Aachen University 52056 Aachen Germany

    I. Physikalisches Institut (IA), RWTH Aachen University, 52056 Aachen, Germany

  11. Mohit Raghuwanshi Aachen I. Physikalisches Institut

    RWTH Aachen University

    Affiliation as printed

    I. Physikalisches Institut (IA) RWTH Aachen University 52056 Aachen Germany

    I. Physikalisches Institut (IA), RWTH Aachen University, 52056 Aachen, Germany

  12. Carl‐Friedrich Schön Aachen I. Physikalisches Institut

    RWTH Aachen University

    Affiliation as printed

    I. Physikalisches Institut (IA) RWTH Aachen University 52056 Aachen Germany

    I. Physikalisches Institut (IA), RWTH Aachen University, 52056 Aachen, Germany

  13. Marc Drögeler Aachen II. Physikalisches Institut (IIA)

    RWTH Aachen University

    Affiliation as printed

    II. Physikalisches Institut (IIA) RWTH Aachen University 52056s Aachen Germany

    II. Physikalisches Institut (IIA), RWTH Aachen University, 52056s Aachen, Germany

  14. Christoph Stampfer Aachen II. Physikalisches Institut (IIA) JARA‐FIT and JARA‐HPC

    Jülich Aachen Research Alliance · RWTH Aachen University

    Affiliation as printed

    II. Physikalisches Institut (IIA) RWTH Aachen University 52056s Aachen Germany

    JARA‐FIT and JARA‐HPC RWTH Aachen University 52056 Aachen Germany

    II. Physikalisches Institut (IIA), RWTH Aachen University, 52056s Aachen, Germany

    JARA-FIT and JARA-HPC, RWTH Aachen University, 52056 Aachen, Germany

  15. R. P. S. M. Lobo

    Centre National de la Recherche Scientifique · Université Paris Sciences et Lettres · Sorbonne Université · Laboratoire de Physique et d’Étude des Matériaux · ESPCI Paris

    Affiliation as printed

    LPEM ESPCI Paris CNRS PSL University 10 rue Vauquelin Paris F‐75005 France

    Sorbonne Université ESPCI Paris CNRS LPEM Paris F‐75005 France

    LPEM, ESPCI Paris, CNRS, PSL University, 10 rue Vauquelin, Paris, F-75005 France

  16. Andrea A. Piarristeguy

    École Nationale Supérieure de Chimie de Montpellier · Centre National de la Recherche Scientifique · Institut Charles Gerhardt Montpellier

    Affiliation as printed

    ICGM Université Montpellier CNRS ENSCM Montpellier F‐34095 France

  17. A. Pradel

    École Nationale Supérieure de Chimie de Montpellier · Centre National de la Recherche Scientifique · Institut Charles Gerhardt Montpellier

    Affiliation as printed

    ICGM Université Montpellier CNRS ENSCM Montpellier F‐34095 France

  18. Jean‐Yves Raty

    University of Liège

    Affiliation as printed

    CESAM and Physics of Solids Interfaces and Nanostructures, B5 Université de Liège Sart‐Tilman B4000 Belgium

  19. Matthias Wuttig corresponding Aachen I. Physikalisches Institut JARA‐FIT and JARA‐HPC

    Forschungszentrum Jülich · Jülich Aachen Research Alliance · RWTH Aachen University

    Affiliation as printed

    I. Physikalisches Institut (IA) RWTH Aachen University 52056 Aachen Germany

    JARA‐FIT and JARA‐HPC RWTH Aachen University 52056 Aachen Germany

    PGI 10 (Green IT) Forschungszentrum Jülich 52428 Jülich Germany

    I. Physikalisches Institut (IA), RWTH Aachen University, 52056 Aachen, Germany

    JARA-FIT and JARA-HPC, RWTH Aachen University, 52056 Aachen, Germany

Cited by 148 stored of 149

Cited by patents worldwide 1 (Lens.org)

References 52