Ultrahigh anharmonicity low-permittivity tunable nanocrystalline thin-film BaTi2O5

Matthias Falmbigl; Iryna S. Golovina; Christopher J. Hawley; Aleksandr V. Plokhikh; Or Shafir; Ilya Grinberg; Jonathan E. Spanier

doi:10.1016/j.actamat.2021.116712

Ultrahigh anharmonicity low-permittivity tunable nanocrystalline thin-film BaTi₂O₅

Matthias Falmbigl, Iryna S. Golovina, Christopher J. Hawley, Aleksandr V. Plokhikh, Or Shafir, Ilya Grinberg, Jonathan E. Spanier

Department of Chemistry

Drexel University

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

Electrically tunable dielectric thin films in active circuits and systems are challenged by capacitance-induced delays and impedance matching requiring a lower dielectric constant. Here an approach to increasing the intrinsic tunability of compounds containing TiO₆ octahedra by considering the influence of different connectivity among these octahedra is presented. Such connectivity variants in nanocrystalline monoclinic BaTi₂O₅ thin films enable a two orders of magnitude enhancement in Ti anharmonic interaction, thereby permitting a ≈65% decrease in dielectric constant to 70 at room temperature without sacrificing tunability. Edge-sharing TiO₆ octahedra possess a much shorter Ti-Ti distance of only 2.91 Å as compared to the perovskite structure (~4 Å), permitting large field-induced structural re-arrangement and intrinsic tunability.

Original language	English
Article number	116712
Journal	Acta Materialia
Volume	208
DOIs	https://doi.org/10.1016/j.actamat.2021.116712
State	Published - 15 Apr 2021

Bibliographical note

Publisher Copyright:
© 2021

Funding

The authors thank Adrian Podpirka and Alejandro Gutierrez-Perez for assistance with device processing and data collection. Work at Drexel University was supported by the Army Research Laboratory under Cooperative Agreement No. W911-NF-19-2-0119, the Office of Naval Research under grant N00014-15-11-2170 , and the National Science Foundation under CBET 1705440 . We acknowledge the core shared user facilities at Drexel University under NSF DMR 1040166, and Picosun Oy (Finland) for support.

Funders	Funder number
National Science Foundation	CBET 1705440
Office of Naval Research	N00014-15-11-2170
Army Research Laboratory	W911-NF-19-2-0119
Drexel University	NSF DMR 1040166

Keywords

Atomic layer deposition
BaTiO thin films
Density functional theory
Dielectric properties
Ferroelectric
Tunability

Access to Document

10.1016/j.actamat.2021.116712

Cite this

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title = "Ultrahigh anharmonicity low-permittivity tunable nanocrystalline thin-film BaTi2O5",

abstract = "Electrically tunable dielectric thin films in active circuits and systems are challenged by capacitance-induced delays and impedance matching requiring a lower dielectric constant. Here an approach to increasing the intrinsic tunability of compounds containing TiO6 octahedra by considering the influence of different connectivity among these octahedra is presented. Such connectivity variants in nanocrystalline monoclinic BaTi2O5 thin films enable a two orders of magnitude enhancement in Ti anharmonic interaction, thereby permitting a ≈65% decrease in dielectric constant to 70 at room temperature without sacrificing tunability. Edge-sharing TiO6 octahedra possess a much shorter Ti-Ti distance of only 2.91 {\AA} as compared to the perovskite structure (~4 {\AA}), permitting large field-induced structural re-arrangement and intrinsic tunability.",

keywords = "Atomic layer deposition, BaTiO thin films, Density functional theory, Dielectric properties, Ferroelectric, Tunability",

author = "Matthias Falmbigl and Golovina, {Iryna S.} and Hawley, {Christopher J.} and Plokhikh, {Aleksandr V.} and Or Shafir and Ilya Grinberg and Spanier, {Jonathan E.}",

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AU - Falmbigl, Matthias

AU - Golovina, Iryna S.

AU - Hawley, Christopher J.

AU - Plokhikh, Aleksandr V.

AU - Shafir, Or

AU - Grinberg, Ilya

AU - Spanier, Jonathan E.

PY - 2021/4/15

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N2 - Electrically tunable dielectric thin films in active circuits and systems are challenged by capacitance-induced delays and impedance matching requiring a lower dielectric constant. Here an approach to increasing the intrinsic tunability of compounds containing TiO6 octahedra by considering the influence of different connectivity among these octahedra is presented. Such connectivity variants in nanocrystalline monoclinic BaTi2O5 thin films enable a two orders of magnitude enhancement in Ti anharmonic interaction, thereby permitting a ≈65% decrease in dielectric constant to 70 at room temperature without sacrificing tunability. Edge-sharing TiO6 octahedra possess a much shorter Ti-Ti distance of only 2.91 Å as compared to the perovskite structure (~4 Å), permitting large field-induced structural re-arrangement and intrinsic tunability.

AB - Electrically tunable dielectric thin films in active circuits and systems are challenged by capacitance-induced delays and impedance matching requiring a lower dielectric constant. Here an approach to increasing the intrinsic tunability of compounds containing TiO6 octahedra by considering the influence of different connectivity among these octahedra is presented. Such connectivity variants in nanocrystalline monoclinic BaTi2O5 thin films enable a two orders of magnitude enhancement in Ti anharmonic interaction, thereby permitting a ≈65% decrease in dielectric constant to 70 at room temperature without sacrificing tunability. Edge-sharing TiO6 octahedra possess a much shorter Ti-Ti distance of only 2.91 Å as compared to the perovskite structure (~4 Å), permitting large field-induced structural re-arrangement and intrinsic tunability.

KW - Atomic layer deposition

KW - BaTiO thin films

KW - Density functional theory

KW - Dielectric properties

KW - Ferroelectric

KW - Tunability

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