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BaSn 3 : A Superconductor at the Border of Zintl Phases and Intermetallic Compounds. Real‐Space Analysis of Band Structures
Author(s) -
Fässler Thomas F.,
Kronseder Christian
Publication year - 1997
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199726831
Subject(s) - intermetallic , delocalized electron , superconductivity , stacking , electron delocalization , electron localization function , condensed matter physics , electronic band structure , space (punctuation) , crystallography , materials science , chemistry , physics , electron , nuclear magnetic resonance , quantum mechanics , metallurgy , computer science , alloy , operating system , organic chemistry
Molecular wires 2 are formed by the stacking of Sn 3 2−triangles 1 in BaSn 3 . The balanced interplay of interactions between localized and delocalized structural components is responsible for the super‐conductivity of 2 . The “fingerprint” in the band structure of this superconductor is discussed with the help of partial electron density (PED) introduced here as well as the electron localization function (ELF).