Computational design of a robust two-dimensional antiferromagnetic semiconductor

Computational design of a robust two-dimensional antiferromagnetic semiconductor Using density functional theory calculations, we establish the hitherto unknown compound CrCTe3 to be a stable antiferromagnetic semiconductor in the R3¯ crystal structure with an indirect fundamental gap. Successive layers in the bulk compound are weakly bound by van der Waals forces so that individual layers can be easily exfoliated. A monolayer of CrCTe3 is also an antiferromagnetic semiconductor. The monolayer is structurally stable over a large range of compressive and tensile strains, and the antiferromagnetic state is robust over this strain range. Band gap of the monolayer can be tuned by as much as 50% by applying strain in this range. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

Computational design of a robust two-dimensional antiferromagnetic semiconductor

Preview Only

Computational design of a robust two-dimensional antiferromagnetic semiconductor

Abstract

Using density functional theory calculations, we establish the hitherto unknown compound CrCTe3 to be a stable antiferromagnetic semiconductor in the R3¯ crystal structure with an indirect fundamental gap. Successive layers in the bulk compound are weakly bound by van der Waals forces so that individual layers can be easily exfoliated. A monolayer of CrCTe3 is also an antiferromagnetic semiconductor. The monolayer is structurally stable over a large range of compressive and tensile strains, and the antiferromagnetic state is robust over this strain range. Band gap of the monolayer can be tuned by as much as 50% by applying strain in this range.
Loading next page...
 
/lp/aps_physical/computational-design-of-a-robust-two-dimensional-antiferromagnetic-toYi5wK9fg
Publisher
The American Physical Society
Copyright
Copyright © ©2017 American Physical Society
ISSN
1098-0121
eISSN
1550-235X
D.O.I.
10.1103/PhysRevB.96.045404
Publisher site
See Article on Publisher Site

Abstract

Using density functional theory calculations, we establish the hitherto unknown compound CrCTe3 to be a stable antiferromagnetic semiconductor in the R3¯ crystal structure with an indirect fundamental gap. Successive layers in the bulk compound are weakly bound by van der Waals forces so that individual layers can be easily exfoliated. A monolayer of CrCTe3 is also an antiferromagnetic semiconductor. The monolayer is structurally stable over a large range of compressive and tensile strains, and the antiferromagnetic state is robust over this strain range. Band gap of the monolayer can be tuned by as much as 50% by applying strain in this range.

Journal

Physical Review BAmerican Physical Society (APS)

Published: Jul 6, 2017

There are no references for this article.

Sorry, we don’t have permission to share this article on DeepDyve,
but here are related articles that you can start reading right now:

Explore the DeepDyve Library

Unlimited reading

Read as many articles as you need. Full articles with original layout, charts and figures. Read online, from anywhere.

Stay up to date

Keep up with your field with Personalized Recommendations and Follow Journals to get automatic updates.

Organize your research

It’s easy to organize your research with our built-in tools.

Your journals are on DeepDyve

Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.

All the latest content is available, no embargo periods.

See the journals in your area

Monthly Plan

  • Read unlimited articles
  • Personalized recommendations
  • No expiration
  • Print 20 pages per month
  • 20% off on PDF purchases
  • Organize your research
  • Get updates on your journals and topic searches

$49/month

Start Free Trial

14-day Free Trial

Best Deal — 39% off

Annual Plan

  • All the features of the Professional Plan, but for 39% off!
  • Billed annually
  • No expiration
  • For the normal price of 10 articles elsewhere, you get one full year of unlimited access to articles.

$588

$360/year

billed annually
Start Free Trial

14-day Free Trial