화학공학소재연구정보센터
Inorganic Chemistry, Vol.48, No.12, 5313-5319, 2009
Synthesis and Structural and Physical Properties of New Semiconducting Quaternary Tellurides: Ba4Ag3.95Ge2Te9 and Ba4Cu3.71Ge2Te9
Two quaternary tellurides, Ba4Ag3.95Ge2Te9 and Ba4Cu3.71Ge2Te9, were prepared in evacuated silica tubes at 750 degrees C. Both tellurides crystallize in space group Pbam, with lattice parameters of a = 8.6835(3) angstrom, b = 13.6421(4) angstrom, c = 10.2612(3) angstrom, and V = 1215.55(7) angstrom(3) (Z = 2) for Ba4Ag3.95Ge2Te9 and a = 8.6464(2) angstrom, b = 13.5305(4) angstrom, c = 10.0810(3) angstrom, and V = 1179.38(6) angstrom(3) (Z = 2) for Ba4Cu3.71Ge2Te9. These structures are comprised of planar Ag-4/Cu-4 clusters and dimeric Ge2Te6 units, which are interconnected through Te atoms into a three-dimensional structure. Several split sites in the case of Ba4Cu3.71Ge2Te9 are reflected in additional, different clusters, including a linear Cu-3 unit. The covalent Ag-Te/Ge-Te network surrounds a one-dimensional linear channel running along the c direction, encompassing the Ba atoms. Electronic structure calculations and transport property measurements show that these two compounds are p-type semiconductors with calculated band gaps of 0.24 eV for the Ag compound and 1.0 eV for the Cu compound.