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Preparation, Crystal Structure, Physical Properties and Electronic Band Structure of TlScQ 2 (Q = S, Se and Te)
Author(s) -
Teske Christoph L.,
Bensch Wolfgang,
Mankovsky Sergey,
Ebert Hubert
Publication year - 2008
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.200700440
Subject(s) - telluride , crystal structure , crystallography , structure type , selenide , chalcogen , bar (unit) , tellurium , electronic band structure , type (biology) , electronic structure , semiconductor , chemistry , electronic band , materials science , selenium , physics , condensed matter physics , inorganic chemistry , computational chemistry , optoelectronics , metallurgy , ecology , biology , meteorology
The title compounds were prepared by reaction of Tl 2 Q (Q = S, Se and Te) Sc and Q in the temperature range of 200 to 500 °C. The structures of the selenide and the telluride adopt the α‐NaFeO 2 type, while TlScS 2 crystallizes in the β‐RbScO 2 type structure. The space group is $\rm R{\bar 3}\rm m$ for TlScSe 2 and TlScTe 2 with a = 3.9370(4) Å, c = 23.194(5) Å, and a = 4.2129(4) Å, c = 24.099(3) Å, respectively. The sulphide crystallizes in P6 3 /mmc with a = 3.761(3) Å and c = 14.942(4) Å. The crystal chemical relations between the three chalcogenides are discussed. According to the electrical measurements and the band structure calculations, the compounds are semiconductors or poor metals.