arXiv subjects

S. J. L. Billinge

Publications and source records attributed to S. J. L. Billinge.

46 records · Page 3Linked to original sources

arXiv2000

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 and <111> 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 <110> directions.

cond-mat.dis-nn↗

arXiv2000

Polyhedral units and network connectivity in calcium aluminosilicate glasses from high-energy x-ray diffraction

Structure factors for Cax/2AlxSi1-xO2 glasses (x=0,0.25,0.5,0.67) extended to a wave vector of magnitude Q= 40 1/A have been obtained by high-energy x-ray diffraction. For the first time, it is possible to resolve the contributions of Si-O, Al-O and Ca-O coordination polyhedra to the experimental atomic pair distribution functions (PDF). It has been found that both Si and Al are four-fold coordinated and so participate in a continuous tetrahedral network at low values of x. The number of network breaking defects in the form of non-bridging oxygens (NBO's) increases slowly with x until x=0.5 (NBO's ~ 10% at x=0.5). By x=0.67 the network breaking defects become significant as evidenced by the significant drop in the average coordination number of Si. By contrast, Al-O tetrahedra remain free of NBO's and fully integrated in the Al/Si-O network for all values of x. Calcium maintains a rather uniform coordination sphere of approximately 5 oxygen atoms for all values of x. The results suggest that not only Si/Al-O tetrahedra but Ca-O polyhedra, too, play a role in determining the glassy structure.

cond-mat.mtrl-sci↗

arXiv2000

Microscopic Charge Inhomogeneities in Underdoped La_2-xSr_xCuO_4: Local Structural Evidence

We present local structural evidence for the existence of charge inhomogeneities at low temperature in underdoped and optimally doped La_2-xSr_xCuO_4. The inhomogeneities disappear for x > 0.2. The evidence for the charge inhomogeneities comes from an anomalous increase in the in-plane Cu-O bond length distribution in the underdoped samples as well as evidence for CuO_6 octahedral tilt inhomogeneities in the intermediate range structure. Preliminary analysis of the temperature dependence of this phenomenon indicates that the inhomogeneities set in at temperatures in the range 60 K < Tco < 130 K which depends on doping.

cond-mat.supr-con↗

arXiv2000

Possible charge inhomogeneities in the CuO2 planes of YBa2Cu3O6+x (x=0.25, 0.45, 0.65, 0.94) from pulsed neutron diffraction

The atomic pair distribution functions (PDF) of four powder samples of YBa2Cu3O6+x (x=0.25, 0.45, 0.65, 0.94) at 15 K have been measured by means of pulsed neutron diffraction. The PDF is modelled using a full-profile fitting approach to yield structural parameters. In contrast to earlier XAFS work we find no evidence of a split apical oxygen site. However, a slightly improved fit over the average crystallographic model results when the planar Cu(2) site is split along the z-direction. This is interpreted in terms of charge inhomogeneities in the CuO2 planes.

cond-mat.supr-con↗

arXiv2000

Neutron diffraction evidence of microscopic charge inhomogeneities in the CuO2 plane of superconducting La2-xSrxCuO4 (0 < x <0.30)

We present local structural evidence supporting the presence of charge inhomogeneities in the CuO2 planes of underdoped La2-xSrxCuO4. High-resolution atomic pair distribution functions have been obtained from neutron powder diffraction data over the range of doping 0 < x < 0.30 at 10 K. Despite the average structure getting less orthorhombic we see a broadening of the in-plane Cu-O bond distribution as a function of doping up to optimal doping. Thereafter the peak abruptly sharpens. Complementary evidence is also evident from the observation of octahedral tilt disorder in the PDF at higher atomic separation. This suggests a crossover from a charge inhomogeneous state at and below optimal doping to a homogeneous charge state above optimal doping. The strong response of the local structure to the charge-state implies a strong electron-lattice coupling in these materials.

cond-mat.supr-con↗

arXiv1999

Local structure of In_(0.5)Ga_(0.5)As from joint high-resolution and differential pair distribution function analysis

High resolution total and indium differential atomic pair distribution functions (PDFs) for In_(0.5)Ga_(0.5)As alloys have been obtained by high energy and anomalous x-ray diffraction experiments, respectively. The first peak in the total PDF is resolved as a doublet due to the presence of two distinct bond lengths, In-As and Ga-As. The In differential PDF, which involves only atomic pairs containing In, yields chemical specific information and helps ease the structure data interpretation. Both PDFs have been fit with structure models and the way in that the underlying cubic zinc-blende lattice of In_(0.5)Ga_(0.5)As semiconductor alloy distorts locally to accommodate the distinct In-As and Ga-As bond lengths present has been quantified.

cond-mat.mtrl-sci↗

arXiv1999

Measurement of the local Jahn-Teller distortion in LaMnO_3.006

The atomic pair distribution function (PDF) of stoichiometric LaMnO_3 has been measured. This has been fit with a structural model to extract the local Jahn-Teller distortion for an ideal Mn(3+)O_6 octahedron. These results are compared to Rietveld refinements of the same data which give the average structure. Since the local structure is being measured in the PDF there is no assumption of long-range orbital order and the real, local, Jahn-Teller distortion is measured directly. We find good agreement both with published crystallographic results and our own Rietveld refinements suggesting that in an accurately stoichiometric material there is long range orbital order as expected. The local Jahn-Teller distortion has 2 short, 2 medium and 2 long bonds.

cond-mat.mtrl-sci↗

arXiv1999

Evidence for charge localization in the ferromagnetic phase of La_(1-x)Ca_(x)MnO_3 from High real-space-resolution x-ray diffraction

High real-space-resolution atomic pair distribution functions of La_(1-x)Ca_(x)MnO_3 (x=0.12, 0.25 and 0.33) have been measured using high-energy x-ray powder diffraction to study the size and shape of the MnO_6 octahedron as a function of temperature and doping. In the paramagnetic insulating phase we find evidence for three distinct bond-lengths (~ 1.88, 1.95 and 2.15A) which we ascribe to Mn^{4+}-O, Mn^{3+}-O short and Mn^{3+}-O long bonds respectively. In the ferromagnetic metallic (FM) phase, for x=0.33 and T=20K, we find a single Mn-O bond-length; however, as the metal-insulator transition is approached either by increasing T or decreasing x, intensity progressively appears around r=2.15 and in the region 1.8 - 1.9A suggesting the appearance of Mn^{3+}-O long bonds and short Mn^{4+}-O bonds. This is strong evidence that charge localized and delocalized phases coexist close to the metal-insulator transition in the FM phase.

cond-mat.mtrl-sci↗

arXiv1999

High real-space resolution measurement of the local structure of Ga_1-xIn_xAs using x-ray diffraction

High real-space resolution atomic pair distribution functions (PDF)s from the alloy series Ga_1-xIn_xAs have been obtained using high-energy x-ray diffraction. The first peak in the PDF is resolved as a doublet due to the presence of two nearest neighbor bond lengths, Ga-As and In-As, as previously observed using XAFS. The widths of nearest, and higher, neighbor pairs are analyzed by separating the strain broadening from the thermal motion. The strain broadening is five times larger for distant atomic neighbors as compared to nearest neighbors. The results are in agreement with model calculations.

cond-mat.mtrl-sci↗

arXiv1998

Charge-Stripe Ordering From Local Octahedral Tilts: Underdoped and Superconducting La2-xSrxCuO4 (0 < x < 0.30)

The local structure of La2-xSrxCuO4, for 0 < x < 0.30, has been investigated using the atomic pair distribution function (PDF) analysis of neutron powder diffraction data. The local octahedral tilts are studied to look for evidence of [110] symmetry (i.e., LTT-symmetry) tilts locally, even though the average tilts have [010] symmetry (i.e., LTO-symmetry) in these compounds. We argue that this observation would suggest the presence of local charge-stripe order. We show that the tilts are locally LTO in the undoped phase, in agreement with the average crystal structure. At non-zero doping the PDF data are consistent with the presence of local tilt disorder in the form of a mixture of LTO and LTT local tilt directions and a distribution of local tilt magnitudes. We present topological tilt models which qualitatively explain the origin of tilt disorder in the presence of charge stripes and show that the PDF data are well explained by such a mixture of locally small and large amplitude tilts.

cond-mat.supr-con↗