Cf. Woensdregt et al., GROWTH-MORPHOLOGY OF TETRAGONAL ABCO(4) COMPOUNDS - THEORY AND OBSERVATIONS ON CZOCHRALSKI-GROWN CRYSTALS, Journal of crystal growth, 171(3-4), 1997, pp. 392-400
Tetragonal ABCO(4) compounds, where A = Sr, Ca, B = rare earth element
s and C = Ga or Al, are potential substrate candidates for high-freque
ncy superconducting films. The Hartman-Perdok theory (HPT) explains th
e relation between crystal structure and morphology and provides the a
tomic surface topology of the crystalline interface. Theoretical growt
h forms can be constructed from computed attachment energies, E(a)(hkl
) which is assumed to be directly proportional to the growth rate for
F faces. HPT has been applied to CaYAlO4 as a model for all ABCO(4) co
mpounds with a K2NiF4 crystal structure. F forms are {002}, {101}, {10
3}, {110}, {112}. {200}, {211} and {213}. The theoretical growth form
is planar following {001} with {101} and {110} as lateral forms. At lo
wer effective charges on oxygen, q(O), the growth forms are still tabu
lar, but the order of importance of lateral forms changes as function
of q(O). When the ions on the slice boundaries are ordered, {110} will
be absent for the model with the formal charges and replaced by {112}
in the case of models with less negative oxygen charges. As-grown cry
stals show often inhomogeneities in color parallel to the {110} interf
ace. This can be explained by the surface topology of {110}.