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Interfacial Electronic Structure and Optical Properties of a S13 Grain Boundary in Strontium Titanate

K. van Benthem, R. H. French, W. Sigle C. Elsasser, M. Rühle, “Valence Electron Energy Loss Study of Fe Doped SrTiO3 and a S13 Boundary: Electronic Structure and Dispersion Forces”, Ultramicroscopy, 86, 3-4, 303-18, (2001). 

O. Kienzle, PhD thesis, Max-Planck-Institut für Metallforschung, Stuttgart (1999).

O. Kienzle and M. Rühle, in: Proceedings of EUROMAT ´99, Wiley VCH (2000).

Valence Electron Energy Loss Study of Fe doped SrTiO3 and a S13 Boundary: Electronic Structure and Dispersion Forces

K. van Benthem1, R. H. French2, W. Sigle1, C. Elsässer1, and M. Rühle1

1Max-Planck-Institut für Metallforschung, Seestraße 92, D-70174 Stuttgart, Germany

2DuPont Corporation Central Research, E356-384, Exp. St., Wilmington, Delaware 19880-0356, USA

Abstract

Valence electron energy loss spectroscopy in a dedicated scanning transmission electron microscope has been used to obtain the interband transition strength of a S13 tilt grain boundary in SrTiO3.  In a first step the electronic structure of bulk SrTiO3 has been analysed quantitatively by comparing VEELS spectra with vacuum ultraviolet spectra and with ab initio density of states calculations.  The electronic structure of a near S13 grain boundary and the corresponding dispersion forces were then determined by spatially resolved VEELS.  Also the effects of delocalization of the inelastic scattering processes were estimated and compared with results from the literature.

Figure 2.  Valence EEL spectrum of bulk SrTiO3, the extracted zero-loss peak (green) and the corresponding single-scattering spectrum after Fourier-log deconvolution (SSD). The specimen thickness was t/l=2.475.

Figure 6.  Linescan of the real part of the interband transition strength (Re[Jcv]) across the S13 grain boundary (GB).

Figure 10.  Linescan of the relative specimen thickness t/l, the index of refraction, and the oscillator strength sum rule across the S13 grain boundary.

 

Figure 12. Delocalization of the inelastic scattering process measured by the FWHM of the width of the S13 GB obtained by VEELS in comparison to an approximation by Pennycook and Narayan (S. Pennycook and Narayan, Phys. Rev. Let. 54 (1985) 1543).

 

Comment: (c) 2009 Roger H. French , frenchrh@lrsm.upenn.edu
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