A high temperature diffraction-resistance study of chalcopyrite, CuFeS2

✍ Scribed by T.E. Engin; A.V. Powell; S. Hull

• Book ID: 104030889
• Publisher: Elsevier Science
• Year: 2011
• Tongue: English
• Weight: 928 KB
• Volume: 184
• Category: Article
• ISSN: 0022-4596
• DOI: 10.1016/j.jssc.2011.06.036

✦ Synopsis

The electrical, magnetic and structural properties of synthetic chalcopyrite, CuFeS 2 , have been studied up to 873 K using DC resistance measurements performed in-situ during neutron powder diffraction experiments. Under ambient conditions the material adopts the accepted structural model for CuFeS 2 in the space group I4 ¯2d, with the magnetic moment of the Fe 3 þ cations aligned along [001]. The electrical resistivity is around 0.3 O cm under ambient conditions, consistent with semiconductor character, and decreases slightly with increase in temperature until a more abrupt fall occurs in the region 750-800 K. This abrupt change in resistivity is accompanied by a structural transition to a cubic zinc blende structured phase (space group F4 ¯3m) in which Cu þ and Fe 3 þ cations are disordered over the same tetrahedral crystallographic sites and by a simultaneous loss of long-range magnetic order. The implications of these results are discussed in the context of previous studies of the chalcopyrite system.