Direct experimental evidence of hybridization of Pb states with O 2p states in ferroelectric perovskite oxides

Jan, J. C.; Tsai, H. M.; Pao, C. W.; Chiou, J. W.; Asokan, K.; Kumar, K. P. Krishna; Pong, W. F.; Tang, Y. H.; Tsai, M.-H.; Kuo, S. Y.; Hsieh, W. F.
July 2005
Applied Physics Letters;7/4/2005, Vol. 87 Issue 1, p012103
Academic Journal
This work presents the O K- and Ti L3,2-edge x-ray absorption near-edge structure (XANES) spectra of PbxSr1-xTiO3 (PxSTO) and BaxSr1-xTiO3 (BxSTO) compounds with various Pb and Ba concentrations. The result provides direct evidence that the Pb–O bonding strongly affects O 2p–Ti 3d hybridization in the TiO6 octahedron of PxSTO. In contrast, the Ba–O bonding does not substantially affect O 2p–Ti 3d hybridization in BxSTO. The Ti L3-edge XANES spectra show the splitting of the eg band for PxSTO with x>=0.5, which provides an evidence of Pb-induced tetragonal distortion in the TiO6 octahedron. In contrast, eg band splitting is absent in BxSTO.


Related Articles

  • Predicting morphotropic phase boundary locations and transition temperatures in Pb- and Bi-based perovskite solid solutions from crystal chemical data and first-principles calculations. Grinberg, Ilya; Suchomel, Matthew R.; Davies, Peter K.; Rappe, Andrew M. // Journal of Applied Physics;11/1/2005, Vol. 98 Issue 9, p094111 

    Using data obtained from first-principles calculations, we show that the position of the morphotropic phase boundary (MPB) and transition temperature at MPB in ferroelectric perovskite solutions can be predicted with quantitative accuracy from the properties of the constituent cations. We find...

  • Ferroelectric Dynamics in the Perovskite Relaxor PMN. Gehring, P. M.; Wakimoto, S.; Ye, Z.-G.; Shirane, G. // AIP Conference Proceedings;2002, Vol. 626 Issue 1, p89 

    We review results obtained from recent neutron scattering studies of the lead-oxide class of perovskite relaxors PMN and PZN. A ferroelectric soft mode has been identified in PMN at 1100 K that becomes overdamped near 620 K. This is the same temperature at which polar nanoregions (PNR) begin to...

  • Recent progress in relaxor ferroelectrics with perovskite structure. Bokov, A. A.; Ye, Z.-G. // Journal of Materials Science;Jan2006, Vol. 41 Issue 1, p31 

    Relaxor ferroelectrics were discovered almost 50 years ago among the complex oxides with perovskite structure. In recent years this field of research has experienced a revival of interest. In this paper we review the progress achieved. We consider the crystal structure including quenched...

  • Improved ferroelectric properties of Pb(Zr0.52,Ti0.48)O3 thin film on single crystal diamond using CaF2 layer. Meiyong Liao; Nakajima, Kiyomi; Imura, Masataka; Koide, Yasuo // Applied Physics Letters;1/4/2010, Vol. 96 Issue 1, p012910 

    The authors report the integration of perovskite Pb(Zr0.52,Ti0.48)O3 thin film on single crystal diamond by using a nonoxide single CaF2 buffer layer. The CaF2 buffer layer plays a dual role in the lead zirconate titanate Pb(Zr,Ti)O3 (PZT) film deposition. The first is that the CaF2 layer leads...

  • Stretched exponential relaxation in perovskite ferroelectrics after cyclic loading. Lupascu, Doru C.; Fedosov, Sergei; Verdier, Cyril; Rödel, Jürgen; Seggern, Heinz Von // Journal of Applied Physics;2/1/2004, Vol. 95 Issue 3, p1386 

    The switching kinetics in fatigued polycrystalline bulk ferroelectrics do not exhibit relaxation with a singular time constant but rather stretched exponential behavior. Several microscopic mechanisms are discussed to explain this effect for a polycrystalline material. Some of the mechanisms may...

  • Ferroelectric polymer gate on AlGaN/GaN heterostructures. Malin, L.; Stolichnov, I.; Setter, N. // Journal of Applied Physics;Dec2007, Vol. 102 Issue 11, p114101 

    There has been much investigation into the implementation of field effect transistors; however, a commercial device is still not available. An attempt is made here to develop a ferroelectric gate device using an Al0.3Ga0.7N/GaN heterostructure with a two dimensional electron gas (2DEG). The...

  • Anomalous properties of A m−1Bi2B m O3 m+3 layered ferroelectrics. Isupov, V. A. // Inorganic Materials;Nov2006, Vol. 42 Issue 11, p1236 

    Statistical analysis is presented of the literature data on the properties of A m−1Bi2B m O3 m+3 layered ferroelectrics consisting of alternating perovskite-like slabs and bismuth-oxygen layers. The results reveal new and confirm some of the known tendencies. The Bi-O layers are shown to...

  • Domain engineering of the transverse piezoelectric coefficient in perovskite ferroelectrics. Davis, Matthew; Damjanovic, Dragan; Hayem, Didier; Setter, Nava // Journal of Applied Physics;7/1/2005, Vol. 98 Issue 1, p014102 

    The transverse piezoelectric coefficient d31* has been calculated for the six domain-engineered structures occurring in perovskite single crystals, using data for rhombohedral PMN-33PT [0.67Pb(Mg1/3Nb2/3)O3-0.33PbTiO3], orthorhombic potassium niobate (KNbO3), tetragonal barium titanate (BaTiO3),...

  • Ab initio calculations of Born charges in ferroelectrics with a perovskite structure. Kvyatkovskiĭ, O. E. // Physics of the Solid State;Apr2009, Vol. 51 Issue 4, p797 

    A method has been proposed for calculating Born effective charges in compounds with a cubic perovskite structure. The method is based on the first-principles calculation of individual contributions from the short-range interaction and the intercell dipole-dipole interaction to the Born tensor Z...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics