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 Sn3N4 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.

Pressure-Tuneable Visible-Range Band Gap in the Ionic Spinel Tin Nitride / Kearney, J. S. C.; Grauzinyte, M.; Smith, D.; Sneed, D.; Childs, C.; Hinton, J.; Park, C.; Smith, J. S.; Kim, E.; Fitch, S. D. S.; Hector, A. L.; Pickard, C. J.; Flores-Livas, J. A.; Salamat, A.. - In: ANGEWANDTE CHEMIE. INTERNATIONAL EDITION. - ISSN 1433-7851. - 57:36(2018), pp. 11623-11628. [10.1002/anie.201805038]

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

Park C.;Kim E.;Flores-Livas J. A.
Penultimo
Conceptualization
;
2018

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 Sn3N4 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.
2018
ab initio calculations; high-pressure chemistry; nitrides; semiconductors
01 Pubblicazione su rivista::01a Articolo in rivista
Pressure-Tuneable Visible-Range Band Gap in the Ionic Spinel Tin Nitride / Kearney, J. S. C.; Grauzinyte, M.; Smith, D.; Sneed, D.; Childs, C.; Hinton, J.; Park, C.; Smith, J. S.; Kim, E.; Fitch, S. D. S.; Hector, A. L.; Pickard, C. J.; Flores-Livas, J. A.; Salamat, A.. - In: ANGEWANDTE CHEMIE. INTERNATIONAL EDITION. - ISSN 1433-7851. - 57:36(2018), pp. 11623-11628. [10.1002/anie.201805038]
File allegati a questo prodotto
File Dimensione Formato  
Kearney_Pressure-Tuneable_2018.pdf

accesso aperto

Tipologia: Versione editoriale (versione pubblicata con il layout dell'editore)
Licenza: Tutti i diritti riservati (All rights reserved)
Dimensione 2.97 MB
Formato Adobe PDF
2.97 MB Adobe PDF

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1416675
Citazioni
  • ???jsp.display-item.citation.pmc??? 3
  • Scopus 25
  • ???jsp.display-item.citation.isi??? 24
social impact