Controlling the electronic and optical properties of HfS2 mono-layers via lanthanide substitutional doping: a DFT+U study-Reference-Cited by-同舟云学术

Controlling the electronic and optical properties of HfS2 mono-layers via lanthanide substitutional doping: a DFT+U study

Published:2020 Issue:27 Volume:10 Page:15670-15676
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Obodo K. O.¹²³⁴^ORCID,Gebreyesus G.⁵⁶⁷⁸⁹,Ouma C. N. M.¹²³⁴^ORCID,Obodo J. T.¹⁰¹¹¹²,Ezeonu S. O.¹³¹⁴¹⁵¹²,Rai D. P.¹⁶⁵¹⁷¹⁸¹⁹,Bouhafs B.²⁰²¹²²²³

Affiliation:

1. HySA Infrastructure Centre of Competence

2. Faculty of Engineering

3. North-West University, South Africa (NWU)

4. South Africa

5. Department of Physics

6. School of Physical and Mathematical Sciences

7. College of Basic and Applied Sciences

8. University of Ghana

9. Ghana

10. Physics Department

11. University of Nigeria

12. Nigeria

13. Department of Physics/Industrial Physics

14. Nnamdi Azikiwe University

15. Awka

16. Physical Sciences Research Center (PSRC)

17. Pachhunga University College

18. Aizawl-796001

19. India

20. Laboratoire de Modélisation et Simulation en Sciences des Matériaux

21. Université Djillali Liabés de Sidi Bel-Abbés

22. Sidi Bel-Abbés

23. Algeria

Abstract

Density functional theory with the Hubbard U parameter calculations were carried out to investigate the structural, electronic and optical properties of lanthanide dopant atoms in the HfS₂ mono-layer..

Funder

North-West University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/RA/D0RA02464C

Reference49 articles.

1. Electric Field Effect in Atomically Thin Carbon Films

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3. Modification of the band offset in boronitrene

4. Two-dimensional material nanophotonics

5. Silicene, a promising new 2D material

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