Defects and Surface-Induced Effects in Advanced Perovskites by N. E. Christensen, E. A. Kotomin, R. I. Eglitis, A. V.

By N. E. Christensen, E. A. Kotomin, R. I. Eglitis, A. V. Postnikov, G. Borstel (auth.), Gunnar Borstel, Andris Krumins, Donats Millers (eds.)

Complex oxide fabrics, specially the ABO3-type perovskite fabrics, were attracting turning out to be clinical curiosity as a result of their distinct electro-optical houses, resulting in photorefractive results that shape the foundation for such units as holographic garage, optical info processing and part conjugation. The optical and mechanical homes of non-metals are strongly plagued by the defects and impurities which are unavoidable in any genuine fabric. Nanoscopically sized floor results play a tremendous position, particularly in multi-layered ABO3 constructions, that are stable applicants for prime capability reminiscence cells.
The fifty one papers awarded the following record the newest advancements and new effects and may enormously stimulate growth in high-tech applied sciences utilizing perovskite materials.

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18]. , the extraction of the effective interaction parameters) calculated data for additional configurations would be essential. 3. Charged substitutional impurities: Fe 2+, Fe3 + in KNb0 3 As an example of an impurity system which develops energy levels in the band gap and is important in photorefractive applications, one can mention substitutional Fe (in different charge configurations) in KNb0 3 , studied by us with the LMTO method in the supercell approach [21]. We summarize below the essential results of this study.

L. (1992) First principles analysis of vibrational modes in KNb0 3 , Feroelectrics 136, 95-103. 1. 26 Postnikov, A. , Borstel, G. and Methfessel. M. (1993) Ferroelectric structure of KNbO s and KTaO a from first-principles calculations, Phys. Rev. B 48, 5920-5918. 4. Postnikov, A. V. and Borstel, G. (1994) r phonons and microscopic structure of orthorhombic KNbO a from first-principles calculations, Phys. Rev. B 50, 16403-16409. 5. Postnikov, A. , Neumann, T. and Borstel, G. (1994) Phonon properties of KNbO a and KTaO a from first-principles calculations, Phys.

Eglitis, R. , Christensen, N. , Kotomiri, E. , Postnikov, A. V. and Borstel, G. (1997) First-principles and semiempirical calculations for F centers in KNbO a , Phys. Rev. B 55, pp. 8599-8604. 9. Kotomin, E. , Eglitis, R. , Postnikov, A. , and Christensen, N. E. (1999) First-principles and semiempirical calculations for bound-hole polarons in KNb0 3 , Phys. Rev. B 60, 1-5. 10. Yakoby, Y. and Just, S. (1974) Differential Raman scattering from impurity soft modes in mixed crystals of K 1 - xNaxTa03 and K1-xLixTaO a, Solid State Commun.

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