Effect of Te doping in SnO<sub>2</sub> in Sn and O sites: A DFT study-Reference-Cited by-同舟云学术

Effect of Te doping in SnO₂ in Sn and O sites: A DFT study

Published:2023-12-12 Issue: Volume: Page:
ISSN:0217-9849
Container-title:Modern Physics Letters B
language:en
Short-container-title:Mod. Phys. Lett. B

Author:

Shekhawat Pushpendra Singh¹^ORCID,Sharma Neha¹^ORCID,Dwivedi Umesh K.¹^ORCID,Singh Mukhtiyar²^ORCID,Choudhury Sandip Paul¹^ORCID

Affiliation:

1. Amity School of Applied Science, Amity University Rajasthan, Kant Kalwar, NH-11C, Jaipur, Rajasthan 303002, India

2. Department of Applied Physics, Delhi Technological University, Shahbad Daulatpur, Delhi 110042, India

Abstract

In this work, we have studied the electronic properties of SnO2 by employing the density functional theory. The aim of the work is to study the comparative effect of Te doping in SnO2 in Sn and O sites. The CASTEP module is used for the simulation. [Formula: see text] lattice of SnO2 was used for the study of the band structure and density of state. The electronic properties change significantly on doping the sample with Te. Also, when Te is doped in different quantities and at different sites in SnO2, the bandgap is overlapped in 0.75% Te doping at O site and the maximum is found to be 0.587 eV in 0.75% Te doping at Sn site. For pure SnO2, the bandgap is 1.064. Hence SnO2 when doped with Te influences the conductivity.

Publisher

World Scientific Pub Co Pte Ltd

Subject

Condensed Matter Physics,Statistical and Nonlinear Physics

Link

https://www.worldscientific.com/doi/pdf/10.1142/S0217984923420083

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