13 research outputs found
Local structure study of In_xGa_(1-x)As semiconductor alloys using High Energy Synchrotron X-ray Diffraction
Nearest and higher neighbor distances as well as bond length distributions
(static and thermal) of the In_xGa_(1-x)As (0<x<1) semiconductor alloys have
been obtained from high real-space resolution atomic pair distribution
functions (PDFs). Using this structural information, we modeled the local
atomic displacements in In_xGa_(1-x)As alloys. From a supercell model based on
the Kirkwood potential, we obtained 3-D As and (In,Ga) ensemble averaged
probability distributions. This clearly shows that As atom displacements are
highly directional and can be represented as a combination of and
displacements. Examination of the Kirkwood model indicates that the standard
deviation (sigma) of the static disorder on the (In,Ga) sublattice is around
60% of the value on the As sublattice and the (In,Ga) atomic displacements are
much more isotropic than those on the As sublattice. The single crystal diffuse
scattering calculated from the Kirkwood model shows that atomic displacements
are most strongly correlated along directions.Comment: 10 pages, 12 figure
A tetragonal-to-monoclinic phase transition in a ferroelectric perovskite: the structure of PbZr(0.52)Ti(0.48)O3
The perovskite-like ferroelectric system PbZr(1-x)Ti(x)O3 (PZT) has a nearly
vertical morphotropic phase boundary (MPB) around x=0.45-0.50. Recent
synchrotron x-ray powder diffraction measurements by Noheda et al. [Appl. Phys.
Lett. 74, 2059 (1999)] have revealed a new monoclinic phase between the
previously-established tetragonal and rhombohedral regions. In the present work
we describe a Rietveld analysis of the detailed structure of the tetragonal and
monoclinic PZT phases on a sample with x= 0.48 for which the lattice parameters
are respectively: at= 4.044 A, ct= 4.138 A, at 325 K, and am= 5.721 A, bm=
5.708 A, cm= 4.138 A, beta= 90.496 deg., at 20K. In the tetragonal phase the
shifts of the atoms along the polar [001] direction are similar to those in
PbTiO3 but the refinement indicates that there are, in addition, local
disordered shifts of the Pb atoms of ~0.2 A perpendicular to the polar axis..
The monoclinic structure can be viewed as a condensation along one of the
directions of the local displacements present in the tetragonal phase. It
equally well corresponds to a freezing-out of the local displacements along one
of the directions recently reported by Corker et al.[J. Phys. Condens.
Matter 10, 6251 (1998)] for rhombohedral PZT. The monoclinic structure
therefore provides a microscopic picture of the MPB region in which one of the
"locally" monoclinic phases in the "average" rhombohedral or tetragonal
structures freezes out, and thus represents a bridge between these two phases.Comment: REVTeX, 7 figures. Modifications after referee's suggestion: new
figure (figure 5), comments in 2nd para. (Sect.III) and in 2nd & 3rd para.
(Sect. IV-a), in the abstract: "...of ~0.2 A perpendicular to the polar
axis.