Epitaxial, hexagonal rare-earth silicides, such as ErSi1.7, can be formed u
sing channeled ion beam synthesis. In the case of Gd-silicide, an orthorhom
bic GdSi2 phase exists at high temperature; the transition temperature is r
elated to the thickness and crystalline quality of the silicide. In the cas
e of the lightest rare-earth metals, such as Nd, silicides only exist in a
tetragonal or orthorhombic phase, which cannot grow epitaxially on Si(111).
However, introduction of a fraction of yttrium (YSi1.7 also possesses the
aforementioned hexagonal lattice) drives the Nd-Si system into a hexagonal
lattice structure. A combined backscattering and channeling spectrometry (R
BS/C), X-ray diffraction (XRD) and transmission electron microscopy (TEM) s
tudy shows that an epitaxial, continuous ternary silicide is formed land no
t a mixture of binaries) with a hexagonal structure, which is stable up to
950 degrees C. Further annealing, however, results in a gradual transformat
ion into polycrystalline phases. The experimental results are compared to t
otal energy calculations of these (meta-)stable rare-earth silicides, using
the density functional theory (DFT). (C) 1999 Elsevier Science B.V. All ri
ghts reserved.