Interplay of Atomic Interactions in the Intermetallic Semiconductor Be 5 Pt.

Autor: Amon A; Department Chemische Metallkunde, Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01277, Dresden, Germany., Svanidze E; Department Chemische Metallkunde, Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01277, Dresden, Germany., Ormeci A; Department Chemische Metallkunde, Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01277, Dresden, Germany., König M; Department Chemische Metallkunde, Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01277, Dresden, Germany., Kasinathan D; Department Chemische Metallkunde, Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01277, Dresden, Germany., Takegami D; Department Chemische Metallkunde, Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01277, Dresden, Germany., Prots Y; Department Chemische Metallkunde, Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01277, Dresden, Germany., Liao YF; National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, 30076, Hsinchu, Taiwan., Tsuei KD; National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, 30076, Hsinchu, Taiwan., Tjeng LH; Department Chemische Metallkunde, Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01277, Dresden, Germany., Leithe-Jasper A; Department Chemische Metallkunde, Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01277, Dresden, Germany., Grin Y; Department Chemische Metallkunde, Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01277, Dresden, Germany.
Jazyk: angličtina
Zdroj: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2019 Oct 28; Vol. 58 (44), pp. 15928-15933. Date of Electronic Publication: 2019 Sep 24.
DOI: 10.1002/anie.201909782
Abstrakt: Semiconducting substances form one of the most important families of functional materials. However, semiconductors containing only metals are very rare. The chemical mechanisms behind their ground-state properties are only partially understood. Our investigations have rather unexpectedly revealed the semiconducting behaviour (band gap of 190 meV) for the intermetallic compound Be 5 Pt formed at a very low valence-electron count. Quantum-chemical analysis shows strong charge transfer from Be to Pt and reveals a three-dimensional entity of vertex-condensed empty Be 4 tetrahedrons with multi-atomic cluster bonds interpenetrated by the framework of Pt-filled vertex-condensed Be 4 tetrahedrons with two-atomic polar Be-Pt bonds. The combination of strong Coulomb interactions with relativistic effects results in a band gap.
(© 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.)
Databáze: MEDLINE
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