Realization of p-Type Conductivity in ZnO via Potassium Doping

• Authors: M. Bousmaha , M. Bezzerrouk , R. Baghdad , K. Chebbah , B. Kharroubi , B. Bouhafs
• Languages of publication: EN

Abstracts

EN

Our work focuses on the study of the electronic structure of undoped and K-doped ZnO using density functional theory as implemented in the Wien2k package. Generalized gradient approximation and GGA plus Tran-Blaha-modified Becke-Johnson (TB-mBJ) were used to calculate the exchange-correlation energy. From the electronic properties, ZnO has a direct band gap in (Γ-Γ) direction with a value of 0.76 eV within GGA and 2.63 eV within GGA + TB-mBJ. For the K-doped ZnO (12.5%) the gap was found to be 1.15 eV within GGA and 3.28 eV within GGA + TB-mBJ, we have observed that an emersion of a new narrow band exists in the valence band which is mainly caused by K 3p states with a little Zn 4s and Zn 3d effect.

Keywords

EN

63.20.dk; 81.05.Dz; 73.20.At

Discipline

• 81.05.Dz: II-VI semiconductors
• 63.20.dk: First-principles theory
• 73.20.At: Surface states, band structure, electron density of states

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2016
• Volume: 129
• Issue: 6
• Pages: 1155-1158

Dates

published

2016-06

received

2015-12-27

(unknown)

2016-04-23

(unknown)

2016-05-19

Contributors

author

M. Bousmaha

• Department of Physics, Faculty of Material Sciences, Ibn Khaldoun University - Tiaret, BP 78, Zaaroura Road, 14000 Tiaret, Algeria

author

M. Bezzerrouk

• Department of Physics, Faculty of Material Sciences, Ibn Khaldoun University - Tiaret, BP 78, Zaaroura Road, 14000 Tiaret, Algeria

author

R. Baghdad

• Department of Physics, Faculty of Material Sciences, Ibn Khaldoun University - Tiaret, BP 78, Zaaroura Road, 14000 Tiaret, Algeria

author

K. Chebbah

• Department of Physics, Faculty of Material Sciences, Ibn Khaldoun University - Tiaret, BP 78, Zaaroura Road, 14000 Tiaret, Algeria

author

B. Kharroubi

• Department of Physics, Faculty of Material Sciences, Ibn Khaldoun University - Tiaret, BP 78, Zaaroura Road, 14000 Tiaret, Algeria

author

B. Bouhafs

• Modeling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbès, Sidi Bel Abbès 22000, Algeria

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Identifiers

DOI

10.12693/APhysPolA.129.1155