Description of Anhydrous (Black) Dioptase as a S=1/2 Uniform Antiferromagnetic Chain System

作者：Law Joseph M^*; Hoch Constantin; Whangbo Myung Hwan; Kremer Reinhard K

来源：Zeitschrift fur Anorganische und Allgemeine Chemie, 2010, 636(1): 54-61.

DOI：10.1002/zaac.200900403

• Dioptase
• Copper
• Magnetic properties
• Heisenberg chain
• Electronic structure
• Spin dimer analysis

The structural and magnetic properties of anhydrous (black) dioptase, CuSiO(3), were investigated by carrying out single-crystal X-ray diffraction, specific heat, and magnetic susceptibility measurements as well as by performing spin dimer analysis based oil extended Huckel tight-binding calculations. Our Spill dimer analysis indicates that black dioptase is a S = 1/2 uniform antiferromagnetic chain system with the interchain spin exchange weaker than the intrachain exchange by three orders of magnitude. Specific It cat and magnetic susceptibility measurements,how that the intrachain exchange is -174(2) K, and the interchain exchange is of the order of similar to 2 K. They lead to long-range magnetic ordering at about 5 K as evidenced by a broad anomaly in the specific heat.

• 出版日期2010