Optical spectroscopy and band gap analysis of hybrid improper ferroelectric Ca3Ti2O7

Cherian, Judy G.; Birol, Turan; Harms, Nathan C.; Gao, Bin; Cheong, Sang -Wook; Vanderbilt, David; Musfeldt, Janice L.

doi:10.1063/1.4954404

Title: Optical spectroscopy and band gap analysis of hybrid improper ferroelectric Ca₃Ti₂O₇

Journal Article · Mon Jun 27 00:00:00 EDT 2016 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4954404· OSTI ID:1467576

Cherian, Judy G. ^[1];

^[2]; Harms, Nathan C. ^[1]; Gao, Bin ^[2]; Cheong, Sang -Wook ^[2];

^[2]; Musfeldt, Janice L. ^[1]

Univ. of Tennessee, Knoxville, TN (United States)
The State Univ. of New Jersey, Piscataway, NJ (United States)

Here, we bring together optical absorption spectroscopy, photoconductivity, and first principles calculations to reveal the electronic structure of the room temperature ferroelectric Ca₃Ti₂O₇. The 3.94 eV direct gap in Ca₃Ti₂O₇ is charge transfer in nature and noticeably higher than that in CaTiO₃ (3.4 eV), a finding that we attribute to dimensional confinement in the n = 2 member of the Ruddlesden-Popper series. While Sr substitution introduces disorder and broadens the gap edge slightly, oxygen deficiency reduces the gap to 3.7 eV and gives rise to a broad tail that persists to much lower energies.

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Research Organization:: Univ. of Tennessee, Knoxville, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: FG02-01ER45885

OSTI ID:: 1467576

Alternate ID(s):: OSTI ID: 1259373

Journal Information:: Applied Physics Letters, Vol. 108, Issue 26; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 23 works

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Piezoluminescence from ferroelectric Ca_3Ti_2O_7:Pr^3+ long-persistent phosphor Fan, Xin-Hua; Zhang, Jun-Cheng; Zhang, Min Optics Express, Vol. 25, Issue 13 https://doi.org/10.1364/oe.25.014238	journal	January 2017
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