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Studying the local structures of novel materials using the Extended X-ray Absorption Fine Structure technique

Posted on:2010-04-07Degree:Ph.DType:Dissertation
University:University of California, Santa CruzCandidate:Jiang, YuFull Text:PDF
GTID:1441390002976842Subject:Physics
Abstract/Summary:
In this dissertation, investigations on the local lattice structures for a variety of novel materials using Extended X-ray Absorption Fine Structure (EXAFS) technique are presented. Different experiment schemes were applied to obtain EXAFS data with high quality, and some interesting results were obtained by careful analysis. The power of the EXAFS technique was once again proved.;In Chapter 1, I first briefly introduce the EXAFS theory and experiments, then give readers who are not familiar with this technique a short introduction on data reduction and analysis, and finally discuss some problems that are easily ignored in the interpretation of the experiment results.;In Chapter 2, a temperature-dependent EXAFS investigation of La 1-xCaxMnO 3 is presented for the concentration range that spans the ferromagnetic-insulator (FMI) to ferromagnetic-metal (FMM) transition region, x = 0.16, 0.18, 0.20, and 0.22; the titrated hole concentrations are slightly higher y = 0.2, 0.22, 0.24, and 0.25 respectively.;In Chapter 3, I report EXAFS studies of n- and p-type Ba8Ga 16Ge30 samples (type I clathrate) at the Ga, Ge, and Ba K-edges, to probe the local structure, particularly around the Ba atoms located inside 20- and 24-atom cages (Ba1 and Ba2 sites respectively) formed of Ga/Ge atoms. In agreement with diffraction analysis we find Ba2 is off-center, with a component in the bc plane (0.15 A) comparable to that found in diffraction; however, under the assumption of a stiff cage we also require a significant a component. This suggests a coupling or attraction between the Ba2 atoms and the hexagonal rings at the top or bottom of the cage that encloses the Ba2 site.;In Chapter 4, I report detailed degradation and rejuvenation studies for AC electro-luminescence (EL) devices made using the phosphor ZnS:Cu,CI. We find that the AC EL emission spectra vary considerably with AC driving frequency but all spectra can be fit to a sum of four Gaussians. The combined experiments place strong constraints on the mechanisms for degradation and rejuvenation and suggest that EL degradation is most likely caused by either Cu or Cl diffusion under high E-fields, while thermal diffusion at slightly elevated temperatures without E-fields present, re-randomizes the (isolated) dopant distributions.;In Chapter 5, I present a temperature-dependent EXAFS/XANES investigation of La1-xSrxCoO 3 (LSCO) over a wide doping concentration range (0 ≤ x ≤ 0.35). These experiments do not support the existence of a significant fraction of Co sites with an intermediate spin (IS) state, for which there is a JT active eg electron on the Co atoms. We cannot, however, exclude the possibility of a tiny fraction of sites having a JT distortion or some other (non-JT active) means of producing an IS state. The bulk samples are well ordered out to at least the third neighbors (Co-Co) while the nano-particles show increased disorder and a reduction in coordination for Co-Co. XANES data are also presented and, for both bulk and nano-particle samples, there is essentially no edge shift with increasing Sr concentration and no significant change in the first pre-edge peak with Sr concentration or changing temperature (4-300K). This indicates that when holes are introduced via Sr doping, Co remains close to Co3+; we argue that the holes go primarily into the O 2p bands. Bond-valence sums also indicate no change in Co valence.
Keywords/Search Tags:Local, Using, Structure, EXAFS, Technique
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