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Pressure tuneable visible-­range band gap in the ionic spinel tin nitride

Pressure tuneable visible-­range band gap in the ionic spinel tin nitride
Pressure tuneable visible-­range band gap in the ionic spinel tin nitride
The application of pressure allows for systematic tuning of the charge density of a material "cleanly", i.e. without changes to the chemical composition via dopants, and exploratory high pressure experiments can inform the design of bulk syntheses of materials that benefit from their properties under compression. Here, we report the electronic and structural response of semiconducting tin nitride Sn3N4 under compression ‐ a continuous opening of the optical band gap from 1.3 eV to 3.0 eV over a range of 100 GPa, a 540 nm blueshift spanning the entire visible spectrum. The pressure‐mediated band gap opening is general to this material across numerous high‐density polymorphs, implicating the predominant ionic bonding in the material as the root of its mechanism ‐ fingerprinted by increased charge localisation with reduced volume. The rate of decompression to ambient conditions permits access to recoverable metastable states with varying band gaps energies, opening the possibility of pressure tuneable electronic properties for future applications.
1433-7851
11623-11628
Kearney, John
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Grauzinyte, Migle
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Smith, Dean
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Sneed, Daniel
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Childs, Christian
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Hinton, Jasmine
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Park, Changyong
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Smith, Jesse
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Kim, Eunja
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Fitch, Samuel, David Scott
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Hector, Andrew L.
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Pickard, Chris
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Flores-Livas, Jose
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Salamat, Ashkan
7b5cafe6-ed7b-4a68-a57f-62fca9364b2e
Kearney, John
66679364-9f67-471b-ac60-9e63f5f4427b
Grauzinyte, Migle
cd1915bd-3adc-41dc-91cd-8adca05c241a
Smith, Dean
5cdef2e5-3300-437d-a640-c83f720329b3
Sneed, Daniel
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Childs, Christian
7783a382-229c-43ca-9d5e-16887e4499a3
Hinton, Jasmine
2570a96a-31b4-4da6-b981-421d6c00693d
Park, Changyong
231da996-06f5-467f-ab0e-b01b644cab38
Smith, Jesse
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Kim, Eunja
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Fitch, Samuel, David Scott
af06f89d-37bc-4229-9a61-8cdcb0e515ad
Hector, Andrew L.
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Pickard, Chris
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Flores-Livas, Jose
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Salamat, Ashkan
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Kearney, John, Grauzinyte, Migle, Smith, Dean, Sneed, Daniel, Childs, Christian, Hinton, Jasmine, Park, Changyong, Smith, Jesse, Kim, Eunja, Fitch, Samuel, David Scott, Hector, Andrew L., Pickard, Chris, Flores-Livas, Jose and Salamat, Ashkan (2018) Pressure tuneable visible-­range band gap in the ionic spinel tin nitride. Angewandte Chemie International Edition, 57 (36), 11623-11628. (doi:10.1002/anie.201805038).

Record type: Article

Abstract

The application of pressure allows for systematic tuning of the charge density of a material "cleanly", i.e. without changes to the chemical composition via dopants, and exploratory high pressure experiments can inform the design of bulk syntheses of materials that benefit from their properties under compression. Here, we report the electronic and structural response of semiconducting tin nitride Sn3N4 under compression ‐ a continuous opening of the optical band gap from 1.3 eV to 3.0 eV over a range of 100 GPa, a 540 nm blueshift spanning the entire visible spectrum. The pressure‐mediated band gap opening is general to this material across numerous high‐density polymorphs, implicating the predominant ionic bonding in the material as the root of its mechanism ‐ fingerprinted by increased charge localisation with reduced volume. The rate of decompression to ambient conditions permits access to recoverable metastable states with varying band gaps energies, opening the possibility of pressure tuneable electronic properties for future applications.

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Accepted/In Press date: 13 July 2018
e-pub ahead of print date: 18 July 2018
Published date: 3 September 2018

Identifiers

Local EPrints ID: 422738
URI: http://eprints.soton.ac.uk/id/eprint/422738
ISSN: 1433-7851
PURE UUID: cc3f37e5-430a-4af2-841e-e1c3909fe8cd
ORCID for Andrew L. Hector: ORCID iD orcid.org/0000-0002-9964-2163

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Date deposited: 01 Aug 2018 16:30
Last modified: 07 Oct 2020 06:12

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Contributors

Author: John Kearney
Author: Migle Grauzinyte
Author: Dean Smith
Author: Daniel Sneed
Author: Christian Childs
Author: Jasmine Hinton
Author: Changyong Park
Author: Jesse Smith
Author: Eunja Kim
Author: Samuel, David Scott Fitch
Author: Chris Pickard
Author: Jose Flores-Livas
Author: Ashkan Salamat

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