A Comparative Theoretical Study of ZnO and BeO Oxides in Terms of Electronic Properties

Authors Y. Benkrima1 , A. Souigat1 , Y. Chaouche2, M.E. Soudani3, Z. Korichi1 , D. Slimani1 , N. Mahdadi4

1Ecole Normale Supérieure de Ouargla, 30000 Ouargla, Algeria

2Laboratoire de Physique Appliquée et Théorique, Larbi Tebessi University, Route de Constantine, 12002 Tebessa, Algeria

3Lab. Développement des Energies Nouvelles et Renouvelables en Zones Aride et Sahariennes, Univ Ouargla, Fac. des Mathématiques et des Sciences de la Matière, 30000 Ouargla, Algeria

4Physics Department, Ouargla University, 30000 Ouargla, Algeria

Е-mail [email protected]
Issue Volume 14, Year 2022, Number 2
Dates Received 20 November 2021; revised manuscript received 18 April 2022; published online 29 April 2022
Citation Y. Benkrima, A. Souigat, et al., J. Nano- Electron. Phys. 14 No 2, 02023 (2022)
DOI https://doi.org/10.21272/jnep.14(2).02023
PACS Number(s) 71.20. – b
Keywords Density of states (DOS), ZnO (81) , BeO (2) , Structural properties (9) , Band structures.

ZnO and BeO are attractive materials given their unique physical parameters, wide direct band gap of 3.37 eV and 10.6 eV for ZnO and BeO, respectively, and high exciton binding energy. These good parameters make them suitable for various applications, ultraviolet (UV) emission and detection, surface acoustic wave (SAW) devices, gas sensors, and transparent conducting electrodes. For these reasons, our work is focused on the investigation of the band structure and density of states of both ZnO and BeO semiconductors using the density functional theory (DFT) with two terms of exchange and correlation, generalized gradient approximation (GGA) and local density approximation (LDA). The structural parameters are calculated, the values of the average bond length are well compared with other data. The electronic properties such as band structures of both ZnO and BeO compounds are determined and compared with available values of energy gap and interpreted chemically.

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