论文部分内容阅读
Na_(5+x)YAl_xSi_(4-x)O_(12) superionic conductors arerhombohedral R3c space group.Their structures arecharacterized by(Al_(x/4)Si_(1-x/4))O_4 tetrahedra linked toform puckered(Al_(3x)Si_(4-x))_4O_(35) rings parallel to thebasal plane of the hexagonal cell.These rings,separated by parts of sodium oxygen polyhedron,arestacked to form large rigid colums parallel to c axis.The columns are linked by[YO_6]octahedra to form athree-dimensional Framework with large channels betweenthe rings.Parts of Na ions located in the cores of thecolumns are movable.In terms of the conductionmechanism,the concentration of conducting Na~+ ions wascarried out and compared with the experimental results.It was found that the theoretical values accord withthe experimental results.
(5_x) YAl_xSi_ (4-x) O_ (12) superionic conductors are rhombohedral R3c space group.Their structures are characterized by (Al_ (x / 4) Si_ (1-x / 4)) O_4 tetrahedra linked toform puckered (Al_ (3x) Si_ (4-x)) _4O_ (35) rings parallel to the basal plane of the hexagonal cell. These rings, separated by parts of sodium oxygen polyhedron, arestacked to form large rigid colums parallel to c axis. The columns are linked by [YO_6] octahedra to form athree-dimensional Framework with large channels betweenthe rings. Parts of Na ions located in the cores of thecolumns are movable. terms of the conduction mechanism, the concentration of conducting Na ~ ions wascarried out and compared with the experimental results. It was found that the theoretical values accord with the experimental results.