2019
DOI: 10.1063/1.5089731
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Probing the effect of ferroelectric to paraelectric phase transition on the Ti-3d and O-2p hybridization in BaTiO3

Abstract: We report the modifications in the electronic properties of single phase polycrystalline BaTiO3 due to ferroelectric to paraelectric phase transition revealed by temperature dependent synchrotron based x-ray absorption and valence band spectroscopy. Valence band spectra show a strong temperature dependence of Ti-3d and O-2p hybridized states around the phase transition. It is observed that Ti-O hybridization is stronger in the paraelectric phase, which is also supported by multiplet calculations at the Ti L-ed… Show more

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Cited by 18 publications
(10 citation statements)
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“…However, the transitions are shifted towards lower temperature as compared to BTO, which is consistent with earlier work [23]. Interestingly, the value of dielectric constant at cubic to tetragonal transition is around 7000 at 5 kHz which is much higher than the pure BTO [24] and tan value is also less. This shows that the dielectric constant is enhanced for 20% Sr doped sample.…”
Section: B Temperature Dependent Dielectric Behavioursupporting
confidence: 91%
“…However, the transitions are shifted towards lower temperature as compared to BTO, which is consistent with earlier work [23]. Interestingly, the value of dielectric constant at cubic to tetragonal transition is around 7000 at 5 kHz which is much higher than the pure BTO [24] and tan value is also less. This shows that the dielectric constant is enhanced for 20% Sr doped sample.…”
Section: B Temperature Dependent Dielectric Behavioursupporting
confidence: 91%
“…Feature B is highly sensitive to the valence of Mn and strain. The broad bands represented by C and D are attributed to O-2p-derived states hybridized with La-5d/Sr-4f and Mn-4sp, respectively. ,, …”
Section: Resultsmentioning
confidence: 99%
“…The broad bands represented by C and D are attributed to O-2p-derived states hybridized with La-5d/Sr-4f and Mn-4sp, respectively. 53,58,59 Here, we have focused on the feature A (A1 as e g ↑ and A2 as t 2g ↓) and feature B (e g ↓) because these features carry the main information about the hybridization between Mn/Ni 3d with O 2p states. We have fitted the spectra with the combination of an arctan function as background and a series of Gaussian peaks 59 by using the software Athena.…”
Section: ■ Results and Discussionmentioning
confidence: 99%
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“…The XANES spectra peak intensities and their corresponding changes are listed in Table-2. Peaks A and B are attributed to electron transition from O 1s orbital to O 2p-Ti 3d derived orbital (t2g and eg) states[46][47][48].Peak C1 and C2 are attributed to electron transition from O 1s orbital to O2p-Ca 3d/Ba 5d derived hybrid states[49]. Peak D1 and D2 are attributed to the influence of the empty Ba-5f band on O-2p states[45].…”
mentioning
confidence: 99%