Plasmonic high-entropy carbides.


Journal

Nature communications
ISSN: 2041-1723
Titre abrégé: Nat Commun
Pays: England
ID NLM: 101528555

Informations de publication

Date de publication:
11 Oct 2022
Historique:
received: 29 03 2022
accepted: 21 09 2022
entrez: 11 10 2022
pubmed: 12 10 2022
medline: 12 10 2022
Statut: epublish

Résumé

Discovering multifunctional materials with tunable plasmonic properties, capable of surviving harsh environments is critical for advanced optical and telecommunication applications. We chose high-entropy transition-metal carbides because of their exceptional thermal, chemical stability, and mechanical properties. By integrating computational thermodynamic disorder modeling and time-dependent density functional theory characterization, we discovered a crossover energy in the infrared and visible range, corresponding to a metal-to-dielectric transition, exploitable for plasmonics. It was also found that the optical response of high-entropy carbides can be largely tuned from the near-IR to visible when changing the transition metal components and their concentration. By monitoring the electronic structures, we suggest rules for optimizing optical properties and designing tailored high-entropy ceramics. Experiments performed on the archetype carbide HfTa

Identifiants

pubmed: 36220810
doi: 10.1038/s41467-022-33497-1
pii: 10.1038/s41467-022-33497-1
pmc: PMC9553889
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

5993

Informations de copyright

© 2022. The Author(s).

Références

Nat Commun. 2021 Sep 30;12(1):5747
pubmed: 34593798
Nat Commun. 2014 Jun 06;5:4085
pubmed: 24905443
J Phys Condens Matter. 2017 Oct 24;29(46):465901
pubmed: 29064822
Phys Rev B Condens Matter. 1996 Oct 15;54(16):11169-11186
pubmed: 9984901
Nat Commun. 2021 Sep 15;12(1):5468
pubmed: 34526488
J Phys Chem B. 2007 Mar 22;111(11):2800-5
pubmed: 17388438
Science. 2014 Apr 18;344(6181):263-4
pubmed: 24744364
Nat Commun. 2020 Apr 20;11(1):1864
pubmed: 32313078
Phys Rev B Condens Matter. 1990 Apr 15;41(11):7892-7895
pubmed: 9993096
Proc Natl Acad Sci U S A. 2012 Jun 5;109(23):8834-8
pubmed: 22611188
Nat Mater. 2013 Mar;12(3):191-201
pubmed: 23422720
Nat Mater. 2019 Sep;18(9):920-930
pubmed: 31133732
Materials (Basel). 2014 Feb 14;7(2):1221-1248
pubmed: 28788511
J Chem Inf Model. 2018 Dec 24;58(12):2477-2490
pubmed: 30188699
Opt Express. 2013 Jan 14;21 Suppl 1:A96-110
pubmed: 23389280
Nat Mater. 2010 Mar;9(3):193-204
pubmed: 20168343
Nat Commun. 2018 Nov 26;9(1):4980
pubmed: 30478375
Sensors (Basel). 2020 Apr 28;20(9):
pubmed: 32354016
Nat Mater. 2011 Nov 23;10(12):911-21
pubmed: 22109608
Nat Commun. 2021 Feb 15;12(1):1017
pubmed: 33589641
Phys Rev Lett. 1996 Oct 28;77(18):3865-3868
pubmed: 10062328
ACS Nano. 2012 Mar 27;6(3):2550-7
pubmed: 22356648
Phys Rev E Stat Nonlin Soft Matter Phys. 2005 Jul;72(1 Pt 2):016623
pubmed: 16090123
Acta Crystallogr A Found Adv. 2018 May 1;74(Pt 3):184-203
pubmed: 29724965
Chem Rev. 2011 Jun 8;111(6):3888-912
pubmed: 21434605
J Phys Condens Matter. 2009 Sep 30;21(39):395502
pubmed: 21832390
Adv Mater. 2021 Oct;33(42):e2102904
pubmed: 34476849
Adv Mater. 2013 Jun 25;25(24):3264-94
pubmed: 23674224

Auteurs

Arrigo Calzolari (A)

CNR-NANO Research Center S3, Modena, Italy. arrigo.calzolari@nano.cnr.it.

Corey Oses (C)

Department of Mechanical Engineering and Materials Science, Duke University, Durham, NC, USA.
Center for Autonomous Materials Design, Duke University, Durham, NC, USA.

Cormac Toher (C)

Center for Autonomous Materials Design, Duke University, Durham, NC, USA.
Department of Materials Science and Engineering and Department of Chemistry and Biochemistry, University of Texas at Dallas, Richardson, TX, USA.

Marco Esters (M)

Department of Mechanical Engineering and Materials Science, Duke University, Durham, NC, USA.
Center for Autonomous Materials Design, Duke University, Durham, NC, USA.

Xiomara Campilongo (X)

Center for Autonomous Materials Design, Duke University, Durham, NC, USA.

Sergei P Stepanoff (SP)

Applied Research Laboratory, The Pennsylvania State University, University Park, PA, USA.

Douglas E Wolfe (DE)

Applied Research Laboratory, The Pennsylvania State University, University Park, PA, USA.

Stefano Curtarolo (S)

Department of Mechanical Engineering and Materials Science, Duke University, Durham, NC, USA. stefano@duke.edu.
Center for Autonomous Materials Design, Duke University, Durham, NC, USA. stefano@duke.edu.

Classifications MeSH