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Title: Crystal structures and electrical and optical properties of MgIn{sub 2{minus}x}Ga{sub x}O{sub 4} solid solutions

Journal Article · · Journal of Solid State Chemistry

Equilibrium phase relationships in the MgIn{sub 2}O{sub 4}-MgGa{sub 2}O{sub 4} system at 1400 C were determined by X-ray diffraction. Single phases of the inverse-spinel-type MgIn{sub 2}O{sub 4}, the layered MgInGaO{sub 4}, and the inverse-spinel-type MgGa{sub 2}O{sub 4} were observed in a compositional range of 0 {le} x {le} 0.35, 0.8 {le} x {le} 1.0, and 1.5 {le} x {le} 2.0 in MgIn{sub 2{minus}x}Ga{sub x}O{sub 4}, respectively. Rietveld structural refinement revealed that the layered MgInGaO{sub 4} (space group R{bar 3}m, a = 3.3060(4), c = 25.832(3) {angstrom}) comprised a InO{sub 2}{sup {minus}} single octahedral layer and a MgGaO{sub 2}{sup +} double trigonal-bipyramid layer alternatingly stacked along the z-axis. With increasing gallium content, room-temperature conductivity decreased, whereas transparency and optical band gap increased. Results of single-point energy calculation using the CASTEP code supported that MgIn{sub 2}O{sub 4} is a good conductor with a band gap of {approximately}3.5 eV and that MgGa{sub 2}O{sub 4} is a poor conductor with a band gap of {approximately}5 eV.

OSTI ID:
329133
Journal Information:
Journal of Solid State Chemistry, Vol. 142, Issue 1; Other Information: PBD: Jan 1999
Country of Publication:
United States
Language:
English