Pressure‐Tuneable Visible‐Range Band Gap in the Ionic Spinel Tin Nitride

Kearney, John S. C.; Graužinytė, Miglė; Smith, Dean; Sneed, Daniel; Childs, Christian; Hinton, Jasmine; Park, Changyong; Smith, Jesse S.; Kim, Eunja; Fitch, Samuel D. S.; Hector, Andrew L.; Pickard, Chris J.; Flores‐Livas, José A.; Salamat, Ashkan

doi:10.1002/anie.201805038

Title: Pressure‐Tuneable Visible‐Range Band Gap in the Ionic Spinel Tin Nitride

Journal Article · Wed Aug 08 00:00:00 EDT 2018 · Angewandte Chemie (International Edition)

DOI:https://doi.org/10.1002/anie.201805038· OSTI ID:1476834

Kearney, John S. C. ^[1];

^[2];

^[1]; Sneed, Daniel ^[1]; Childs, Christian ^[1]; Hinton, Jasmine ^[1]; Park, Changyong ^[3]; Smith, Jesse S. ^[3]; Kim, Eunja ^[1]; Fitch, Samuel D. S. ^[4];

^[4]; Pickard, Chris J. ^[5];

^[2];

^[1]

Department of Physics and Astronomy, and HiPSEC University of Nevada, Las Vegas Las Vegas NV 89154 USA
Department of Physics Universität Basel 4056 Basel Switzerland
High Pressure Collaborative Access Team Geophysical Laboratory, Carnegie Institute of Washington Argonne IL 60439 USA
Chemistry University of Southampton Southampton SO17 1BJ UK
Department of Materials Science and Metallurgy University of Cambridge Cambridge CB3 0FS UK, Advanced Institute for Materials Research Tohoku University Sendai 930-8577 Japan

Abstract The application of pressure allows systematic tuning of the charge density of a material cleanly, that is, 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. The electronic and structural response of semiconducting tin nitride Sn ₃ N ₄ under compression is now reported. A continuous opening of the optical band gap was observed from 1.3 eV to 3.0 eV over a range of 100 GPa, a 540 nm blue‐shift 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 cause. 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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Sponsoring Organization:: USDOE

Grant/Contract Number:: DEFG02- 99ER45775.

OSTI ID:: 1476834

Alternate ID(s):: OSTI ID: 1463369

Journal Information:: Angewandte Chemie (International Edition), Journal Name: Angewandte Chemie (International Edition) Vol. 57 Journal Issue: 36; ISSN 1433-7851

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

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Cited by: 18 works

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