Dual acceptor (N, Cu) doping effects on the electronic and optical properties of ZnO

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

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Author(s)

  • Abu Kalam Mohammad Farid Ul Islam
  • Md Kamruzzaman
  • Md Khalilur Rahman Khan
  • Md Al Helal
  • Md Mozibur Rahman

Detail(s)

Original languageEnglish
Article number122463
Number of pages7
Journal / PublicationMaterials Chemistry and Physics
Volume242
Online published18 Nov 2019
Publication statusPublished - 15 Feb 2020
Externally publishedYes

Abstract

This study reports on the dual-acceptor doping effects on ZnO for obtaining p-type conductivity and effectively tuning the band gap. The electronic and optical properties of undoped, mono-(N, Cu) and dual-(N-Cu) doped ZnO have been investigated using first-principles calculations based on the density functional theory (DFT) in the framework of generalized gradient approximation (GGA). The substitution of N, Cu and N-Cu into ZnO leads to the acceptor levels arise above the valance band insight the p-type conduction nature of ZnO. The electronic and optical properties revealed that the band gap narrowing of ZnO is possible by these elementals doping. However, the heavy dual doping is an effective way leads to create shallower impurity level below Fermi level. Therefore, the dual-doped ZnO can be a potential candidate for stable p-type ZnO for future experiment and optoelectronic devices applications.

Research Area(s)

  • Band gap, shallow impurity level, p-type conductivity, first principles, optical properties

Citation Format(s)

Dual acceptor (N, Cu) doping effects on the electronic and optical properties of ZnO. / LITON, Md Nurul Huda; Islam, Abu Kalam Mohammad Farid Ul; Kamruzzaman, Md; Khan, Md Khalilur Rahman ; Helal, Md Al; Rahman, Md Mozibur.

In: Materials Chemistry and Physics, Vol. 242, 122463, 15.02.2020.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review