Electronic structure and optical properties of Mg and Al doped ZnO using modified Becke Johnson potential study

Autor:	R. Mahesh, P. Sai Charan, N. Saketh, M. Anand Pandarinath
Rok vydání:	2019
Předmět:	Materials science chemistry Condensed matter physics Band gap Aluminium Critical point (thermodynamics) Doping chemistry.chemical_element Dielectric Electronic structure Ground state Electronic band structure
Zdroj:	Wide Bandgap Materials, Devices, and Applications IV.
DOI:	10.1117/12.2525204
Popis:	The electronic structure and ground state properties of SC16-ZnO, Zn7Mg1O8 and Zn7Al1O8 were studied using Wien2k code. The doping effect of magnesium and aluminium on band structure of Zinc Oxide reveals that the profiles are identical, however slightly shifted due to band broadening. Using super cell approach the electronic and optical properties are also studied for Zn7Al1O8 and Zn7Mg1O8. The calculated parameters like onset of critical point or threshold value, fundamental band gap and dielectric functions are reported for SC16-ZnO, Zn7Mg1O8 and Zn7Al1O8.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::0cbf125c43ad0c973d0e39b7358b49b0 https://doi.org/10.1117/12.2525204 Zobrazit plný text záznamu