Structural classification ofRAO3(MO)n compounds (R =Sc, In, Y, or lanthanides; A =Fe(III), Ga, Cr, or Al; M =divalent cation; n = 1–11)

Electronic properties of layered multicomponent wide-band-gap oxides: A combinatorial approach

“…First-principles full-potential linearized augmented plane wave method (FLAPW) [21,22] within the local density approximation is employed for the electronic band structure investigations of twelve RAMO 4 compounds, R 3+ =In or Sc, A 3+ =Al, Ga, M 2+ =Ca, Cd, Mg, and/or Zn, [23] as well as their single-cation constituents, MgO, CaO, ZnO, CdO, Sc 2 O 3 , In 2 O 3 , Al 2 O 3 , and Ga 2 O 3 . Cutoffs for the basis functions, 16.0 Ry, and the potential representation, 81.0 Ry, and expansion in terms of spherical harmonics with ℓ ≤ 8 inside the muffin-tin spheres were used.…”

Prediction of compounds related to InFeZn2O5

“…The preparation and structural characterization of compounds with n = 1-4 and m = 1-19 were presented in a series of studies [2,3]. A characteristic feature of these compounds is regular alternation of two space groups, 3 R m if both the n and m coefficients are odd and P6 3 /mmc if one of them is even.…”

“…The InFeZn 2 O 5 type of structure (P6 3 /mmc, Z = 2) is common to these compounds. Other similar compounds are known with different compositions, for example, compounds with indium substituted by Lu, Yb, Tm, Ho, Er, and Y, with iron substituted by Mn, Ga, and Al, and with zinc replaced by Co, Fe, Mn, Cu, and Mg [2,3,6].…”

“…InFeO 3 (ZnO) m were synthesized (m = 1-19) [2,3,6]; their formation can be described by the reaction ZnO has a structure of ZnS (wurtzite), where all positions occupied by the atoms of each of the elements constitute a regular system of points. Both systems occupied by the sulfur and zinc atoms are equivalent, as in the case of the NaCl, CsCl, and other types of structure.…”

Optical properties of ZnO-based quantum structures

“…[11]), which is surely lattice-matched (0.09%) to ZnO. This substrate material is regarded as a natural superlattice composed of alternating stacking layers of wurtzite-type MgAlO x and rocksalt (111)-ScO y layers and hence has a cleavage habit along the (0001) plane.…”