Abstract

In the present study, we have analyzed the electronic properties and formation energy of the SbS2 monolayer with Frenkel and Schottky defects using first principle calculations. The variation in the electronic properties, such as the electronic band structure and Density of States (DOS) for SbS2 monolayer with Frenkel and Schottky defects, has been observed in this paper. Monolayer and structure with Schottky defects in SbS2 show metallic behaviour, whereas the Frenkel defect of SbS2 shows a small direct and indirect bandgap of 24 meV and 8 meV, respectively. The DOSs help us to study the behaviour of orbitals in the systems. Due to the narrow bandgap of SbS2 in the Frenkel defect, it can be promising material in nano-electronics devices.

Details

Title
Schottky and Frenkel Defect on SbS2 Monolayer: First Principles Calculations
Author
Vala, Maulesh D 1 ; Bhatt, Malhar 1 ; Kansara, Shivam 2 ; Sonvane, Yogesh 1 

 Advance Material Lab, Sardar Vallabhbhai National Institute of Technology , Surat, 395007 , India 
 Department of Materials Science and Engineering, Chonnam National University , Gwangju 500-757 , South Korea 
First page
012011
Publication year
2023
Publication date
Jun 2023
Publisher
IOP Publishing
ISSN
17426588
e-ISSN
17426596
Source type
Scholarly Journal
Language of publication
English
ProQuest document ID
2826405875
Copyright
Published under licence by IOP Publishing Ltd. This work is published under http://creativecommons.org/licenses/by/3.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.